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Also known as: 968-86-5, 1-benzyl-4-(phenylamino)piperidine-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

CAS 968-86-5
1 2D Structure

CAS 968-86-5

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. 1-benzyl-4-(phenylamino)piperidine-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. 4-anilino-1-benzyl-4-cyanopiperidine

8. 4-(phenylamino)-1-benzyl-4-piperidinecarbonitrile

9. Mfcd00086217

10. Smr000431508

11. Fentanyl Cyanide

12. Nsc73005

13. Einecs 213-533-0

14. Oprea1_077623

15. Oprea1_583104

16. Mls000768129

17. Mls003960115

18. Schembl2985757

19. Chembl2135258

20. Zinc36615

21. Dtxsid90242513

22. Hms1648c20

23. Hms2785a19

24. Albb-006604

25. Amy22627

26. Nsc 73005

27. Nsc-73005

28. Stk504026

29. 1-benzyl-4-cyano-4-anilinopiperidine

30. N-benzyl-4-anilino-4-cyanopiperidine

31. Akos000265609

32. Cs-w013993

33. Hs-0023

34. Sb43793

35. Ncgc00246472-01

36. Sy083265

37. Db-049903

38. 4-anilino-1-benzyl-4-piperidinecarbonitrile

39. Eu-0099857

40. Ft-0673693

41. Benzyl-4-phenylamino-piperidine-4-carbonitrile

42. 4-anilino-1-benzyl-4-piperidinecarbonitrile #

43. 1-benzyl-4-(phenylamino)-4-piperidinecarbonitrile

44. 1-benzyl-4-(phenylamino)piperidine-4-carbonitril

45. 968b865

46. Sr-01000596967

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

48. Sr-01000596967-1

49. 4-(phenylamino)-1-(phenylmethyl)-4-piperidinenitrile

50. Brd-k41215924-001-07-8

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 Mass291.173547683 g/mol
Monoisotopic Mass291.173547683 g/mol
Topological Polar Surface Area39.1 Ų
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

BUILDING BLOCK

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