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    CAS 61085-60-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 61085-60-7, Methyl 4-anilino-1-benzylpiperidine-4-carboxylate, 4-(phenylamino]-1-benzyl-4-piperidinecarboxylic acid methyl ester, Ht0tl4gj6x, Mfcd02093804, Einecs 262-589-2
    Molecular Formula
    C20H24N2O2
    Molecular Weight
    324.4  g/mol
    InChI Key
    NPNNCHCGYDKUTA-UHFFFAOYSA-N
    FDA UNII
    HT0TL4GJ6X
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-anilino-1-benzylpiperidine-4-carboxylate
    2.1.2 InChI
    InChI=1S/C20H24N2O2/c1-24-19(23)20(21-18-10-6-3-7-11-18)12-14-22(15-13-20)16-17-8-4-2-5-9-17/h2-11,21H,12-16H2,1H3
    2.1.3 InChI Key
    NPNNCHCGYDKUTA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    HT0TL4GJ6X
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 61085-60-7

    2. Methyl 4-anilino-1-benzylpiperidine-4-carboxylate

    3. 4-(phenylamino]-1-benzyl-4-piperidinecarboxylic Acid Methyl Ester

    4. Ht0tl4gj6x

    5. Mfcd02093804

    6. Einecs 262-589-2

    7. Unii-ht0tl4gj6x

    8. Mls003960117

    9. Schembl3171094

    10. Methyl 4-(phenylamino)-1-benzyl-4-piperidinecarboxylate

    11. Dtxsid40209959

    12. Methyl 4-(phenylamino)-1-(phenylmethyl)-4-piperidinecarboxylate

    13. Zinc6661540

    14. Akos005216046

    15. As-47084

    16. Smr002658437

    17. Sy241361

    18. Cs-0197682

    19. F11957

    20. A904149

    21. Methyl 1-benzyl-4-anilino-4-piperidine Carboxylate

    22. Remifentanil Hydrochloride Impurity J [ep Impurity]

    23. Methyl4-(phenylamino)-1-(phenylmethyl)-4-piperidinecarboxylate

    24. 1-benzyl-4-(phenylamino)piperidine-4-carboxylic Acid Methyl Ester

    25. Methyl 4-(phenylamino)-1 (phenylmethyl)-4-piperidinecarboxylate

    26. 4-piperidinecarboxylic Acid, 4-(phenylamino)-1-(phenylmethyl)-, Methyl Ester

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 324.4 g/mol
    Molecular Formula C20H24N2O2
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass324.183778013 g/mol
    Monoisotopic Mass324.183778013 g/mol
    Topological Polar Surface Area41.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity392
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1