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    CAS 109887-53-8

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 109887-53-8, 318279-38-8, (4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol, [4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol, Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine
    Molecular Formula
    C13H18FNO
    Molecular Weight
    223.29  g/mol
    InChI Key
    CXRHUYYZISIIMT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [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
    2.1.3 InChI Key
    CXRHUYYZISIIMT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCC(C(C1)CO)C2=CC=C(C=C2)F
    2.2 Synonyms
    2.2.1 MeSH Synonyms

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

    2. 4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    3. 4-fhmp Cpd

    2.2.2 Depositor-Supplied Synonyms

    1. 109887-53-8

    2. 318279-38-8

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

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

    5. Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    6. Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine

    7. 4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    8. Ent-paroxol

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

    10. (3r,4s)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

    11. Mfcd06658161

    12. Starbld0018161

    13. Paroxetine Impurity 18

    14. ((3r,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

    15. Schembl1944024

    16. Dtxsid10871546

    17. Bcp12375

    18. Bcp25072

    19. Ac-449

    20. N-acetyl-l-cysteinemethylester

    21. Akos005063663

    22. Ab14230

    23. Sb43824

    24. Sb45323

    25. Sb49401

    26. As-13391

    27. Da-23182

    28. Sy013729

    29. Db-017872

    30. Db-017981

    31. Cs-0165676

    32. Ft-0642608

    33. Ft-0642686

    34. Ft-0655780

    35. Ft-0673524

    36. 1-methyl-4-(4-fluorophenyl)piperidine-3-methanol

    37. 887f538

    38. A801322

    39. [4-(4-fluorophenyl)-1- Methylpiperidin-3-yl]methanol

    40. [4-(4-fluorophenyl)-1-methyl-3-piperidinyl]methanol

    41. [4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]methanol

    42. 4-(p-flurophenyl)-3-hydroxymethyl-n-methyl-piperidine

    43. 4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine;

    44. (+/-)4-p-fluorophenyl-3-hydroxymethyl-1-methylpiperidine

    45. 4-(3,3-dimethyl-5-oxo-cyclohexylideneamino)-benzoicacid

    46. (+)-paroxol;((3r,4s)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

    47. [4-(4-fluoro-phenyl)-1-methyl-piperidin-3-yl]-methanol? (paroxetine Impurity Pound(c)

    2.3 Create Date
    2006-10-25
    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 Count0
    Undefined Atom Stereocenter Count2
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1