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    CAS 51135-96-7

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4-benzylpiperidin-4-ol, 51135-96-7, 4-benzyl-4-piperidinol, 4-piperidinol, 4-benzyl-, 4-piperidinol, 4-(phenylmethyl)-, Lr6d2nef7k
    Molecular Formula
    C12H17NO
    Molecular Weight
    191.27  g/mol
    InChI Key
    KJZBZOFESQSBCV-UHFFFAOYSA-N
    FDA UNII
    LR6D2NEF7K
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-benzylpiperidin-4-ol
    2.1.2 InChI
    InChI=1S/C12H17NO/c14-12(6-8-13-9-7-12)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
    2.1.3 InChI Key
    KJZBZOFESQSBCV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1(CC2=CC=CC=C2)O
    2.2 Other Identifiers
    2.2.1 UNII
    LR6D2NEF7K
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4-benzylpiperidin-4-ol

    2. 51135-96-7

    3. 4-benzyl-4-piperidinol

    4. 4-piperidinol, 4-benzyl-

    5. 4-piperidinol, 4-(phenylmethyl)-

    6. Lr6d2nef7k

    7. Mls000737111

    8. 4-(phenylmethyl)-4-piperidinol

    9. Nsc-83237

    10. Smr000459179

    11. Einecs 257-003-7

    12. Nsc 83237

    13. Nsc83237

    14. 4benzyl-piperidin-4-ol

    15. Maybridge3_002978

    16. Unii-lr6d2nef7k

    17. 4-benzyl-piperidin-4-ol

    18. 4-benzyl-4-piperidinol #

    19. 4-benzyl-4-hydroxypiperidin

    20. 4-(benzyl)-piperidin-4-ol

    21. 4-hydroxy-4-benzylpiperadine

    22. 4-hydroxy-4-benzylpiperidine

    23. Piperidin-4-ol, 4-benzyl-

    24. Mls000859000

    25. Schembl613290

    26. 4-benzyl-4-hydroxy Piperidine

    27. 4-benzyl-4-hydroxy-piperidine

    28. 4-hydroxy-4-benzyl Piperidine

    29. 4-hydroxy-4-benzyl-piperidine

    30. Chembl1409838

    31. Dtxsid40199164

    32. Piperidin-4-ol, 4-phenylmethyl-

    33. Hms1439h08

    34. Hms2807p22

    35. Hms3451n04

    36. Zinc160306

    37. 4-benzyl-4-hydroxypiperidine, 95%

    38. Mfcd00023147

    39. Akos009156429

    40. Ccg-151413

    41. Lf-0518

    42. Sb41528

    43. Idi1_014365

    44. Ncgc00246677-01

    45. Ncgc00246677-02

    46. Ac-15886

    47. Db-051907

    48. Ft-0617646

    49. 135b967

    50. A828459

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 191.27 g/mol
    Molecular Formula C12H17NO
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass191.131014166 g/mol
    Monoisotopic Mass191.131014166 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity169
    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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