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    Piperilate Hydrochloride

    PharmaCompass
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    2D Structure
    Also known as: Piperilate hydrochloride, 4544-15-4, Offterror, Pensanate, Phorbic, Pipenate
    Molecular Formula
    C21H26ClNO3
    Molecular Weight
    375.9  g/mol
    InChI Key
    ZJVKLBBPLUXEAC-UHFFFAOYSA-N
    FDA UNII
    07OS4SZ89Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride
    2.1.2 InChI
    InChI=1S/C21H25NO3.ClH/c23-20(25-17-16-22-14-8-3-9-15-22)21(24,18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-13,24H,3,8-9,14-17H2;1H
    2.1.3 InChI Key
    ZJVKLBBPLUXEAC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    07OS4SZ89Z
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Piperilate Hydrochloride

    2. 4544-15-4

    3. Offterror

    4. Pensanate

    5. Phorbic

    6. Pipenate

    7. Sycotrol

    8. Pinate

    9. Nsc-30793

    10. 2-piperidin-1-ylethyl 2-hydroxy-2,2-diphenylacetate;hydrochloride

    11. 2-piperidinoethyl Benzilate Hydrochloride

    12. 1-piperidineethanol Benzilate Hydrochloride

    13. Pipethanate Hydrochloride (jan)

    14. 2-(1-piperidino)ethyl Benzilate Hydrochloride

    15. 07os4sz89z

    16. Pipethanate Hydrochloride [jan]

    17. Ncgc00181083-01

    18. Pipethanate Hcl

    19. Glymor (tn)

    20. Dsstox_cid_27828

    21. Dsstox_rid_82591

    22. Dsstox_gsid_47850

    23. Chembl3187518

    24. Dtxsid2047850

    25. Chebi:32008

    26. Nsc30793

    27. Wln: T6mtj B2ovxqr&r &gh

    28. Tox21_112702

    29. Piperilate Hydrochloride [mi]

    30. Pipethanate Hydrochloride [who-dd]

    31. Cas-4544-15-4

    32. D01521

    33. 1-piperidineethanol Benzilate (ester), Hydrochloride

    34. Q27236318

    35. Benzeneacetic Acid, 2-(1-piperidinyl)ethyl Ester, Hydrochloride

    36. .alpha.-hydroxy-.alpha.-phenylbenzeneacetic Acid 2-(1-piperidinyl)ethyl Ester Hydrochloride

    2.4 Create Date
    2008-02-08
    3 Chemical and Physical Properties
    Molecular Weight 375.9 g/mol
    Molecular Formula C21H26ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count7
    Exact Mass375.1601214 g/mol
    Monoisotopic Mass375.1601214 g/mol
    Topological Polar Surface Area49.8 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity389
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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