CAS 968-86-5

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 7 Related Intermediates

3 Suppliers
3 End Use APIs
7 Related Intermediates

Chemistry

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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

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 Formula	C₁₉H₂₁N₃
Molecular Weight	291.4 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	291.173547683 g/mol
Monoisotopic Mass	291.173547683 g/mol
Topological Polar Surface Area	39.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	377
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