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CAS 3612-20-2
Also known as: N-benzyl-4-piperidone, 3612-20-2, 1-benzylpiperidin-4-one, 4-piperidinone, 1-(phenylmethyl)-, 1-benzyl-4-oxopiperidine, 1-benzyl-piperidin-4-one
Molecular Formula
C12H15NO
Molecular Weight
189.25  g/mol
InChI Key
SJZKULRDWHPHGG-UHFFFAOYSA-N
FDA UNII
399249PH5B

1 2D Structure

CAS 3612-20-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-benzylpiperidin-4-one
2.1.2 InChI
InChI=1S/C12H15NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
2.1.3 InChI Key
SJZKULRDWHPHGG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1=O)CC2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
399249PH5B
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. N-benzyl-4-piperidone

2. 3612-20-2

3. 1-benzylpiperidin-4-one

4. 4-piperidinone, 1-(phenylmethyl)-

5. 1-benzyl-4-oxopiperidine

6. 1-benzyl-piperidin-4-one

7. N-benzyl-4-piperidinone

8. 1-benzyl-4-piperidinone

9. 1-benzylpiperidone

10. 4-piperidone, 1-benzyl-

11. Benzyl-4-piperidone

12. N-benzylpiperidin-4-one

13. Mfcd00006192

14. N-benzylpiperidinone

15. 4-n-benzylpiperidone

16. 1-benzylpiperidine-4-one

17. Mls002694053

18. 1-(phenylmethyl)-4-piperidinone

19. Nsc-77933

20. 399249ph5b

21. Unii-399249ph5b

22. Benzylpiperidone-4

23. Nsc77933

24. Einecs 222-782-4

25. N-benzyl4-piperidone

26. 1-benzylpiperid4-one

27. 1-benzyl4-piperidone

28. N-benzyl 4-piperidone

29. 1-benzylpiperid-4-one

30. 1-benzyi-4-piperidone

31. Benzyl-piperidin-4-one

32. 1-benzyl-4-piperdinone

33. N-benzylpiperdine-4-one

34. 1-benzyl -4-piperidone

35. 1-benzyl-4 -piperidone

36. 1-benzyl-piperid-4-one

37. 1 -benzyl-4-piperidone

38. N-benzyl-4-oxopiperidine

39. N-benzylpiperidine-4-one

40. 4-oxo-1-benzylpiperidine

41. 1-benzyl Piperidin-4-one

42. 1-benzyl-4-oxo-piperidine

43. Schembl4726

44. 1-phenylmethyl-4-piperidone

45. Nciopen2_000865

46. 1-phenylmethyl-4-piperidinone

47. 4-piperidone,1-benzyl

48. 1-(phenylmethyl)-4-piperidone

49. Chembl491630

50. 1-benzyl-4-piperidone, 99%

51. Dtxsid30189695

52. 1-(phenyl-methyl)-4-piperidinone

53. Hms1648p07

54. Act04214

55. Bcp22272

56. Nsc 77933

57. Stl141066

58. Zinc53178479

59. Akos000119701

60. Ac-6376

61. Am85336

62. Cs-w007822

63. Fs-1714

64. Sb42971

65. Ncgc00246875-01

66. Bp-10640

67. Smr001559985

68. Sy001468

69. Db-013199

70. A6268

71. Eu-0099975

72. Ft-0663028

73. Ft-0688557

74. 612b202

75. Sr-01000597226

76. 1-benzyl-4-piperidone, Technical, >=98.0% (gc)

77. Q-200108

78. Sr-01000597226-1

79. Q27256879

80. Z54749061

81. F0850-6847

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 189.25 g/mol
Molecular Formula C12H15NO
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass189.115364102 g/mol
Monoisotopic Mass189.115364102 g/mol
Topological Polar Surface Area20.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity187
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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39742-60-4
Fentanyl
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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120014-30-4
Donepezil
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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21409-26-7
Fentanyl
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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22065-85-6
Donepezil
Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the...
Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the most authoritative, comprehensive, and indispensable provider of chemistry-related information, in keeping with the Visa Chem Vision of Improving People’s Lives Through the Transforming Power of Chemistry. Visa Chem mostly contains small molecules, but also larger molecules. Chemical compounds including drugs, Nucleotide including siRNAs and miRNAs, Carbohydrates, Lipids, Peptides, Chemically-modified macro molecules
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2107-69-9
Donepezil
Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the...
Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the most authoritative, comprehensive, and indispensable provider of chemistry-related information, in keeping with the Visa Chem Vision of Improving People’s Lives Through the Transforming Power of Chemistry. Visa Chem mostly contains small molecules, but also larger molecules. Chemical compounds including drugs, Nucleotide including siRNAs and miRNAs, Carbohydrates, Lipids, Peptides, Chemically-modified macro molecules
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Wavelength Pharmaceuticals

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120013-39-0
Donepezil
Alchem Phytochemicals APIs for Pharmaceuticals, Cosmetics and Nutraceuticals// FDA inspected// EU GMP cer...
Alchem Phytochemicals APIs for Pharmaceuticals, Cosmetics and Nutraceuticals// FDA inspected// EU GMP certified...
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5156-58-1
Fentanyl
ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. ...
ZCL Chemicals Ltd is an 100% Export Oriented Unit (EOU) that combines the power of science & technology. Established in 1991, the company head quarter is in Mumbai .The R&D Center and cGMP-manufacturing facility is in the Industrial heart of Ankleshwar city in Gujarat, 300 k.m. North of Mumbai, well connected by Road, Rail and Air enabling swift cargo movement to the nearest major sea/airport being Mumbai. The Company delivers a broad range of advance fine chemical intermediates and active.
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