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    CAS 105812-81-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 105812-81-5, Paroxol, [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol, (3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol, 109887-53-8, 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3s,4r)-
    Molecular Formula
    C13H18FNO
    Molecular Weight
    223.29  g/mol
    InChI Key
    CXRHUYYZISIIMT-AAEUAGOBSA-N
    FDA UNII
    IDR7471BR7
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol
    2.1.2 InChI
    InChI=1S/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3/t11-,13-/m0/s1
    2.1.3 InChI Key
    CXRHUYYZISIIMT-AAEUAGOBSA-N
    2.1.4 Canonical SMILES
    CN1CCC(C(C1)CO)C2=CC=C(C=C2)F
    2.1.5 Isomeric SMILES
    CN1CC[C@H]([C@@H](C1)CO)C2=CC=C(C=C2)F
    2.2 Other Identifiers
    2.2.1 UNII
    IDR7471BR7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 105812-81-5

    2. Paroxol

    3. [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol

    4. (3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

    5. 109887-53-8

    6. 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3s,4r)-

    7. Qra30yt0av

    8. Idr7471br7

    9. ((3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

    10. (+/-)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

    11. 4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (-)-trans-

    12. 4-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine, (+/-)-trans-

    13. 318279-38-8

    14. Unii-qra30yt0av

    15. Unii-idr7471br7

    16. (3s)-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    17. Mfcd06658161

    18. (-)-paroxol

    19. Trans-paroxol

    20. Ec 406-030-4

    21. Ec 415-550-0

    22. (+/-)-paroxol

    23. Schembl1944023

    24. Paroxol, Trans-(-)-

    25. (+/-)-trans-4-(fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    26. Chembl4971536

    27. Paroxol 1.0 Mg/ml In Methanol

    28. Paroxol, (+/-)-

    29. Dtxsid90909750

    30. Am683

    31. Dtxsid701335734

    32. Paroxol, Trans-(+/-)-

    33. Zinc2529787

    34. (-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

    35. (3s,4r)-[4-(4-fluoro-phenyl)-1-methyl-piperidin-3-yl]-methanol

    36. Mfcd03411902

    37. Akos015853527

    38. Akos015895971

    39. Ac-8186

    40. Cs-w003303

    41. Fs-2563

    42. Fs-3020

    43. Ac-11787

    44. Ac-16240

    45. F0878

    46. 812f815

    47. J-501283

    48. J-513513

    49. ((3s)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

    50. (4r,3s)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

    51. 1-methyl-4alpha-(4-fluorophenyl)piperidine-3beta-methanol

    52. (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1methylpiperidine

    53. (3s-trans)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

    54. (+/-) Trans-4-(4'-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

    55. (+/-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

    56. (+/-)-trans-4-(4'fluorophenyl)-3-hydroxymethyl-n-methyl Piperidine

    57. (-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    58. (-)-trans-4-(4-fluorophenyl)-1-methyl-3-hydroxymethylpiperidine

    59. (-)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    60. (4r,3s)-4-(4-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

    61. (+/-)-trans-[4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]-methanol

    62. (-)trans-4r-(4-fluorophenyl)-3s-hydroxymethyl-1-methylpiperidine

    63. (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, Aldrichcpr

    64. 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3s-trans)-

    65. 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, Trans-(+/-)-

    66. Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3r,4s)-rel-

    67. Trans-n-methyl-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine

    68. (+/-)-trans-4-(p-fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine

    69. Trans-(4r,3s)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    70. Jld

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 223.29 g/mol
    Molecular Formula C13H18FNO
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass223.137242360 g/mol
    Monoisotopic Mass223.137242360 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity216
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1