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    CAS 61337-89-1

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 61337-89-1, 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol, 337376-18-8, (2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl)methanol, 1-(3-hydroxymethylpyridyl-2)-2-phenyl-4-methylpyperazine, [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
    Molecular Formula
    C17H21N3O
    Molecular Weight
    283.37  g/mol
    InChI Key
    PYZPABZGIRHQTA-UHFFFAOYSA-N
    FDA UNII
    XRO2GE880O
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
    2.1.2 InChI
    InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3
    2.1.3 InChI Key
    PYZPABZGIRHQTA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)CO
    2.2 Other Identifiers
    2.2.1 UNII
    XRO2GE880O
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 61337-89-1

    2. 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol

    3. 337376-18-8

    4. (2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl)methanol

    5. 1-(3-hydroxymethylpyridyl-2)-2-phenyl-4-methylpyperazine

    6. [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol

    7. Xro2ge880o

    8. 3-pyridinemethanol, 2-(4-methyl-2-phenyl-1-piperazinyl)-

    9. 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-methanol

    10. 1-(3-(hydroxymethyl)pyridin-2-yl)-4-methyl-2-phenylpiperazine

    11. 1-(3-hydroxymethyl Pyridin-2-yl)-4-methyl-2-phenyl Piperazine

    12. [2-[(2rs)-4-methyl-2-phenylpiperazin-1-yl]pyridin-3-yl]methanol

    13. Mirtazapine Impurity B

    14. Unii-xro2ge880o

    15. Ec 700-296-8

    16. 2-(4-methyl-2-phenylpiperazino)pyridine-3-methanol

    17. Acyclomirtazapine Alcohol

    18. Schembl1325599

    19. 1-(3-hydroxidmethylpyridine)-2-phenyl-4-methyl-piperazine

    20. 1-(3-hydroxymethyl-2-pyridyl)-4-methyl-2-phenylpiperazine

    21. Dtxsid901036336

    22. Amy40875

    23. Mfcd08063948

    24. Akos010505275

    25. Diethyl3,4-pyrroledicarboxylate

    26. Ac-15710

    27. Ac-23364

    28. Ds-10746

    29. Db-018516

    30. Db-053847

    31. Cs-0313951

    32. Ft-0640747

    33. Ft-0727774

    34. Mirtazapine Impurity B [ep Impurity]

    35. F14603

    36. 337m891

    37. A868737

    38. A875208

    39. 1-(3-hydroxymethylpyridyl-2)-4-methyl-2-phenyl-piperazine

    40. 1-(3-hydroxymethyl Pyridin-2-yl)-4-methyl-2-phenylpiperazine

    41. 1-(3-hydroxymethyl Pyridyl-2)-4-methyl-2-phenyl-piperazine

    42. 1-(3-hydroxymethylpyridin-2-yl)-4-methyl-2-phenyl Piperazine

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 283.37 g/mol
    Molecular Formula C17H21N3O
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass283.168462302 g/mol
    Monoisotopic Mass283.168462302 g/mol
    Topological Polar Surface Area39.6 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity319
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1