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    CAS 85098-64-2

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    CAS 85098-64-2
    Also known as: 85098-64-2, 4-anilino-1-benzylpiperidine-4-carboxylic acid, 4-anilino-1-benzyl-4-piperidinecarboxylic acid, Nsc73748, 4-(phenylamino]-1-benzyl-4-piperidinecarboxylic acid, 1-benzyl-4-phenylaminopiperidine-4-carboxylic acid
    Molecular Formula
    C19H22N2O2
    Molecular Weight
    310.4  g/mol
    InChI Key
    YFSCBWDAVTYIMM-UHFFFAOYSA-N
    FDA UNII
    B4386XQ54S
    1 2D Structure

    CAS 85098-64-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-anilino-1-benzylpiperidine-4-carboxylic acid
    2.1.2 InChI
    InChI=1S/C19H22N2O2/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2,(H,22,23)
    2.1.3 InChI Key
    YFSCBWDAVTYIMM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CC3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    B4386XQ54S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 85098-64-2

    2. 4-anilino-1-benzylpiperidine-4-carboxylic Acid

    3. 4-anilino-1-benzyl-4-piperidinecarboxylic Acid

    4. Nsc73748

    5. 4-(phenylamino]-1-benzyl-4-piperidinecarboxylic Acid

    6. 1-benzyl-4-phenylaminopiperidine-4-carboxylic Acid

    7. Nsc-73748

    8. 4-piperidinecarboxylic Acid, 4-(phenylamino)-1-(phenylmethyl)-

    9. B4386xq54s

    10. Mfcd00023753

    11. 1-benzyl-4-phenylamino-4-carboxy-piperidine

    12. Nsc 73748

    13. 4-(phenylamino)-1-benzyl-4-piperidinecarboxylic Acid

    14. Unii-b4386xq54s

    15. Einecs 285-415-7

    16. 4-anilino-1-benzyl-piperidine-4-carboxylic Acid

    17. Ncistruc1_001410

    18. Ncistruc2_001530

    19. Oprea1_065627

    20. Oprea1_466880

    21. 1-benzyl-4-(phenylamino)piperidine-4-carboxylicacid

    22. Schembl2985624

    23. Chembl1741431

    24. Dtxsid60234187

    25. Nci73748

    26. Zinc1446432

    27. Ccg-36532

    28. Ncgc00013811

    29. Akos015900267

    30. Cs-w005577

    31. Ncgc00013811-02

    32. Ncgc00096921-01

    33. Nci60_041615

    34. Sy110234

    35. Db-049847

    36. Ft-0617620

    37. 1-benzyl-4-anilinopiperidine-4-carboxylic Acid

    38. 098b642

    39. A863710

    40. Ah-034/11650121

    41. Benzyl-4-phenylamino-piperidine-4-carboxylic Acid

    42. 1-benzyl-4-phenylamino-piperidine-4-carboxylic Acid

    43. J-504292

    44. Q27274334

    45. 1-benzyl-4-(phenylamino)hexahydropyridine-4-carboxylic Acid

    46. 4-(phenylamino)-1-(phenylmethyl)piperidine-4-carboxylic Acid

    47. 6382-34-9

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 310.4 g/mol
    Molecular Formula C19H22N2O2
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass310.168127949 g/mol
    Monoisotopic Mass310.168127949 g/mol
    Topological Polar Surface Area52.6 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity379
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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