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    CAS 14813-01-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 14813-01-5, 1-benzyl-3-piperidinol, 1-benzyl-3-hydroxypiperidine, N-benzyl-3-hydroxypiperidine, 3-piperidinol, 1-(phenylmethyl)-, 1-n-benzyl-3-hydroxy-piperidine
    Molecular Formula
    C12H17NO
    Molecular Weight
    191.27  g/mol
    InChI Key
    UTTCOAGPVHRUFO-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-benzylpiperidin-3-ol
    2.1.2 InChI
    InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2
    2.1.3 InChI Key
    UTTCOAGPVHRUFO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(CN(C1)CC2=CC=CC=C2)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 14813-01-5

    2. 1-benzyl-3-piperidinol

    3. 1-benzyl-3-hydroxypiperidine

    4. N-benzyl-3-hydroxypiperidine

    5. 3-piperidinol, 1-(phenylmethyl)-

    6. 1-n-benzyl-3-hydroxy-piperidine

    7. Mfcd00023734

    8. Chembl1504199

    9. 1-benzyl-3-hydroxypiperidine Hydrochloride

    10. Einecs 238-881-0

    11. Nsc111182

    12. N-benzyl-3-piperidinol

    13. Chemdiv3_003156

    14. Cambridge Id 5263552

    15. Oprea1_553733

    16. Mls000532403

    17. Schembl1552926

    18. Dtxsid301309117

    19. Hms1481p10

    20. Hms2503a15

    21. Act02098

    22. Bcp23211

    23. N-benzyl-3-hydroxypiperidine, 97%

    24. Bdbm50564577

    25. Stk913780

    26. Akos001652928

    27. Akos016050341

    28. Ab05871

    29. Ab14841

    30. Ac-5325

    31. Cs-w015840

    32. Lf-0535

    33. Nsc 111182

    34. Nsc-111182

    35. Sb41081

    36. Sdccgmls-0065815.p001

    37. Ncgc00245738-01

    38. Smr000137361

    39. Sy007819

    40. Db-012880

    41. Am20030012

    42. B4868

    43. Ft-0637142

    44. Ft-0642208

    45. Ft-0642209

    46. En300-131801

    47. W-108108

    48. Brd-a30305228-003-01-4

    49. Z54753361

    50. (+/-)-1-benzyl-3-hydroxy-1,2,3,5-tetrahydropyridine

    51. (3-chlorophenyl)-[(9h-fluoren-9-ylmethoxycarbonylamino)]aceticacid

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 191.27 g/mol
    Molecular Formula C12H17NO
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area23.5
    Heavy Atom Count14
    Formal Charge0
    Complexity166
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1