CAS 3612-20-2

Chemistry, 8 End Use API, 33 Related Intermediates

Manufacturers/Suppliers

8 Suppliers

8 Suppliers

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 Formula	C₁₂H₁₅NO
Molecular Weight	189.25 g/mol
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	189.115364102 g/mol
Monoisotopic Mass	189.115364102 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1