Overview of CAS 968-86-5

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4CH-024519
PharmaCompass
4CH-024519
Also known as: 968-86-5, 4-anilino-1-benzylpiperidine-4-carbonitrile, 1-benzyl-4-cyano-4-(phenylamino)piperidine, 1-benzyl-4-phenylamino-piperidine-4-carbonitrile, 1-benzyl-4-phenylamino-4-cyano-piperidine, 4-piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-
Molecular Formula
C19H21N3
Molecular Weight
291.4  g/mol
InChI Key
AYYPQRMTCMCFSL-UHFFFAOYSA-N

1 2D Structure

4CH-024519

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-anilino-1-benzylpiperidine-4-carbonitrile
2.1.2 InChI
InChI=1S/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2
2.1.3 InChI Key
AYYPQRMTCMCFSL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CN(CCC1(C#N)NC2=CC=CC=C2)CC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 968-86-5

2. 4-anilino-1-benzylpiperidine-4-carbonitrile

3. 1-benzyl-4-cyano-4-(phenylamino)piperidine

4. 1-benzyl-4-phenylamino-piperidine-4-carbonitrile

5. 1-benzyl-4-phenylamino-4-cyano-piperidine

6. 4-piperidinecarbonitrile, 4-(phenylamino)-1-(phenylmethyl)-

7. Ayypqrmtcmcfsl-uhfffaoysa-n

8. Smr000431508

9. Nsc73005

10. Einecs 213-533-0

11. Ac1q4qzd

12. Ac1q4rue

13. Ac1l2e1b

14. Oprea1_077623

15. Oprea1_583104

16. Mls000768129

17. Mls003960115

18. Pip018

19. Schembl2985757

20. Chembl2135258

21. Zinc36615

22. Dtxsid90242513

23. Hms1648c20

24. Hms2785a19

25. Albb-006604

26. Ks-000011oj

27. Zx-an006264

28. 6788ac

29. Fc0507

30. Mfcd00086217

31. Nsc-73005

32. Stk504026

33. 1-benzyl-4-cyano-4-anilinopiperidine

34. N-benzyl-4-anilino-4-cyanopiperidine

35. Akos000265609

36. Cb-2978

37. Cs-w013993

38. Hs-0023

39. Mcule-4960289303

40. Rtr-031592

41. Tra0100562

42. Ncgc00246472-01

43. Aj-08716

44. Ak113163

45. An-48178

46. St001817

47. Ab0060969

48. Ax8056760

49. Db-049903

50. Tr-031592

51. 4-anilino-1-benzyl-4-piperidinecarbonitrile

52. 4ch-024519

53. Eu-0099857

54. Ft-0673693

55. St24037782

56. 4-anilino-1-benzyl-piperidine-4-carbonitrile

57. Benzyl-4-phenylamino-piperidine-4-carbonitrile

58. 4-anilino-1-benzyl-4-piperidinecarbonitrile #

59. X-1857

60. 1-benzyl-4-(phenylamino)-4-piperidinecarbonitrile

61. 1-benzyl-4-(phenylamino)piperidine-4-carbonitril

62. 4-(phenylamino)-1-benzylpiperidine-4-carbonitrile

63. 968b865

64. C-55565

65. Sr-01000596967

66. I14-9596

67. Piperidine-4-carbonitrile, 1-benzyl-4-phenylamino-

68. Sr-01000596967-1

69. 4-(phenylamino)-1-(phenylmethyl)-4-piperidinenitrile

70. Brd-k41215924-001-07-8

71. A0707/0032987

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 291.4 g/mol
Molecular Formula C19H21N3
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass291.173548 g/mol
Monoisotopic Mass291.173548 g/mol
Topological Polar Surface Area39.1
Heavy Atom Count22
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

Virtual BoothUSFDA, EDQM, ANSM, KFDA, TGA Inspected// in 60 countries // Ephedrine, Pseudoephedrine Salts & Phenylephrine HCl

968-86-5
Carfentanil
Malladi Drugs & Pharmaceuticals Ltd is one of India 's most tradition conscious and ethically sound Pharm...
Malladi Drugs & Pharmaceuticals Ltd is one of India 's most tradition conscious and ethically sound Pharmaceutical Company. Malladi Drugs was founded in 1980 by late Mr. M L N Sastry, a pioneering microbiologist with expertise in fermentation technology. Today, Malladi is the leading manufacturer of Active Pharmaceutical Ingredients (API) in the Cough and Cold segment along with a dominant presence in other therapeutic segments like Anti-histamines, Anti-convulsants, Anti-depressants and Anxiolytics (CNS) of the global pharmaceutical industry.

Virtual BoothUSFDA, EDQM, ANSM, KFDA, TGA Inspected// in 60 countries // Ephedrine, Pseudoephedrine Salts & Phenylephrine HCl

968-86-5
Sufentanil
Malladi Drugs & Pharmaceuticals Ltd is one of India 's most tradition conscious and ethically sound Pharm...
Malladi Drugs & Pharmaceuticals Ltd is one of India 's most tradition conscious and ethically sound Pharmaceutical Company. Malladi Drugs was founded in 1980 by late Mr. M L N Sastry, a pioneering microbiologist with expertise in fermentation technology. Today, Malladi is the leading manufacturer of Active Pharmaceutical Ingredients (API) in the Cough and Cold segment along with a dominant presence in other therapeutic segments like Anti-histamines, Anti-convulsants, Anti-depressants and Anxiolytics (CNS) of the global pharmaceutical industry.

Virtual BoothUSFDA, EDQM, ANSM, KFDA, TGA Inspected// in 60 countries // Ephedrine, Pseudoephedrine Salts & Phenylephrine HCl

968-86-5
Alfentanil
Malladi Drugs & Pharmaceuticals Ltd is one of India 's most tradition conscious and ethically sound Pharm...
Malladi Drugs & Pharmaceuticals Ltd is one of India 's most tradition conscious and ethically sound Pharmaceutical Company. Malladi Drugs was founded in 1980 by late Mr. M L N Sastry, a pioneering microbiologist with expertise in fermentation technology. Today, Malladi is the leading manufacturer of Active Pharmaceutical Ingredients (API) in the Cough and Cold segment along with a dominant presence in other therapeutic segments like Anti-histamines, Anti-convulsants, Anti-depressants and Anxiolytics (CNS) of the global pharmaceutical industry.
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