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    CAS 968-86-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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