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    CAS 84163-13-3

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 84163-13-3, R-56109 hydrochloride, 6-fluoro-3-(4-piperidyl)-1,2-benzisoxazole hydrochloride, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole hydrochloride, 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hcl, 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
    Molecular Formula
    C12H14ClFN2O
    Molecular Weight
    256.70  g/mol
    InChI Key
    CWPSRUREOSBKBQ-UHFFFAOYSA-N
    FDA UNII
    X3U18DS1Y7
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
    2.1.2 InChI
    InChI=1S/C12H13FN2O.ClH/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
    2.1.3 InChI Key
    CWPSRUREOSBKBQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C2=NOC3=C2C=CC(=C3)F.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    X3U18DS1Y7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 84163-13-3

    2. R-56109 Hydrochloride

    3. 6-fluoro-3-(4-piperidyl)-1,2-benzisoxazole Hydrochloride

    4. 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole Hydrochloride

    5. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Hcl

    6. 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

    7. 6-fluoro-3-piperidin-4-yl-benzo[d]isoxazole Hydrochloride

    8. 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidine Hydrochloride

    9. X3u18ds1y7

    10. Paliperidone Related Compound B

    11. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Monohydrochloride

    12. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole, Hcl

    13. Mfcd06658529

    14. 6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole Hydrochloride

    15. 1,2-benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, Monohydrochloride

    16. 1,2-benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, Hydrochloride (1:1)

    17. 6-fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole Hydrochloride

    18. Unii-x3u18ds1y7

    19. Paliperidone Impurity O Hcl

    20. Schembl531052

    21. Dtxsid90233082

    22. Act02050

    23. Bcp13826

    24. Akos015849221

    25. Ac-2367

    26. Sb38950

    27. Bp-10259

    28. Sy017246

    29. Am20060212

    30. Cs-0005760

    31. F0944

    32. Ft-0601045

    33. F11294

    34. Paliperidone Related Compound B [usp-rs]

    35. 163f133

    36. 11t-0035

    37. Q-102530

    38. Q27293525

    39. 6-fluoro-3(4-piperidinyl)-1,2-benzoxazole Hydrochloride

    40. 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole Hydrochloride

    41. Z1741970118

    42. 6-fluoro-3(4-piperidinyl)-1,2 Benzisoxazole Hydrochloride

    43. 6-fluoro-3(4-piperidinyl)-1,2-benzisoxazole Hydrochloride

    44. 6-fluoro-3-(4-piperidinyl)-1,2 Benzisoxazole Hydrochloride

    45. 6-fluoro-3-(4-piperidinyl)-1,2benzisoxazole Hydrochloride

    46. 6-fluoro-3-(4-piperidinyl)-benzo[d]isoxazole Hydrochloride

    47. 6-fluoro-3-(4-piperidinyl)-l,2-benzisoxazole Hydrochloride

    48. 6-fluoro-3-(4-piperidinyl)1,2 Benzisoxazole Hydrochloride

    49. 6-fluoro-3-(4-piperidinyl)1,2-benzisoxazole Hydrochloride

    50. 6-fluoro-3-(4piperidinyl)-1,2-benzisoxazole Hydrochloride

    51. 6-fluoro3-(4-piperidinyl)-1,2-benzisoxazole Hydrochloride

    52. 6fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Hydrochloride

    53. 4-(6-fluoro-1,2-benzisoxazol- 3-yl)piperidine Hydrochloride

    54. 4-(6-fluoro-1,2-benzisoxazol-3-yl)-piperidine Hydrochloride

    55. 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidine, Hydrochloride

    56. 6-fluoro-3-(-4-piperidinyl)-1.2-benzisoxazole Hydrochloride

    57. 6-fluoro-3-(4-piperidinyl)-1,2 -benzisoxazole Hydrochloride

    58. 6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole Hydrochloride

    59. 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidinium Chloride

    60. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole Mono Hydrochloride

    61. 6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole Mono Hydrochloride

    62. 6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole Monohydrochloride

    63. 6-fluoro-3-(4-piperidinyl)-1,2-benzoxazole Hydrochloride (1:1)

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 256.70 g/mol
    Molecular Formula C12H14ClFN2O
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass256.0778689 g/mol
    Monoisotopic Mass256.0778689 g/mol
    Topological Polar Surface Area38.1 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity245
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2