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    CAS 84163-77-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 84163-77-9, 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidine, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole, 6-fluoro-3-piperidin-4-yl-benzo[d]isoxazole, 1,2-benzisoxazole, 6-fluoro-3-(4-piperidinyl)-, R-56109
    Molecular Formula
    C12H13FN2O
    Molecular Weight
    220.24  g/mol
    InChI Key
    MRMGJMGHPJZSAE-UHFFFAOYSA-N
    FDA UNII
    3911L280X6
    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
    2.1.2 InChI
    InChI=1S/C12H13FN2O/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
    2.1.3 InChI Key
    MRMGJMGHPJZSAE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CNCCC1C2=NOC3=C2C=CC(=C3)F
    2.2 Other Identifiers
    2.2.1 UNII
    3911L280X6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

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

    2.3.2 Depositor-Supplied Synonyms

    1. 84163-77-9

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

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

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

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

    6. R-56109

    7. 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole

    8. 6-fluoro-3-(piperidin-4-yl)-1,2-benzisoxazole

    9. 3-(4-piperidinyl)-6-fluorobenzo(d)isoxazole

    10. 4-(6-fluorobenzo(d)isoxazol-3-yl)piperidine

    11. 6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole

    12. 4-(6-fluoro-1,2-benzisoxazol-3-yl)-piperidine

    13. 3911l280x6

    14. 6-fluoro-3-(4-piperidyl)-1,2-benzisoxazole

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

    16. 6-fluoro-3-(4-piperidinyl)benzisoxazole

    17. 3-(4-piperidinyl)-6-fluorobenzo[d]isoxazole

    18. 4-(6-fluorobenzo[d]isoxazol-3-yl)piperidine

    19. Risperidone Impurity M [ep]

    20. Unii-3911l280x6

    21. Schembl461287

    22. Chembl1668844

    23. Dtxsid50233083

    24. Zinc383926

    25. Act04282

    26. Bbl010824

    27. Mfcd03236724

    28. Stk629028

    29. Akos000301982

    30. Ab13829

    31. Ac-3455

    32. Gf-0135

    33. 3-(4-piperidinyl)-6-fluorobenzisoxazole

    34. 6-fluoro-3-(4-piperidinyl)-benzisoxazol

    35. 4-(6-fluorobenzisoxazol-3-yl)-piperidine

    36. Db-007159

    37. 4-(6-fluoro-1,2-benzisoxazolyl)-piperidine

    38. 6-fluoro-(4-piperidinyl)-1,2 Benzisoxazole

    39. 6-fluoro-(4-piperidinyl)-1,2-benzisoxazole

    40. 6-fluoro-3-piperid-4-yl-1,2-benzisoxazole

    41. Bb 0259829

    42. Cs-0119629

    43. F0735

    44. Ft-0656102

    45. Risperidone Impurity M [ep Impurity]

    46. 3-(4-piperidyl)-6-fluoro-1,2-benzisoxazole

    47. 3-(4piperidinyl)-6-fluoro-1,2-benzisoxazole

    48. 4-(6-fluoro-1,2-benzisoxaz-3-yl)piperidine

    49. 4-(6-fluoro-1,2-benzisoxazol-3yl)piperidine

    50. 4-(6fluoro-1,2-benzisoxazol-3-yl)piperidine

    51. 6-fluoro-3(4-piperidinyl)-1,2 Benzisoxazole

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

    53. 6-fluoro-3-(4-piperidinyl)-1,2benzisoxazole

    54. 6-fluoro-3-(4-piperidinyl)1,2 Benzisoxazole

    55. 6-fluoro-3-(4-piperidinyl)1,2-benzisoxazole

    56. 6-fluoro-3-(4piperidinyl)-1,2-benzisoxazole

    57. 6-fluoro-3-piperidine-4-yl-benzo[d]isoxazole

    58. 6-fluoro3-(4-piperidinyl)-1,2-benzisoxazole

    59. 6fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

    60. 6-fluor-3-(4-piperidinyl)-1,2-benzisoxazole

    61. 6-fluoro-3-(4-piperdinyl)-1,2-benzisoxazole

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

    63. 6-fluoro-3-(4-piperidinyl)-1,2 Benzisoxazole

    64. 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazol

    65. 6-fluoro-3-(4-piperidinyl)-12-benzisoxazole

    66. 6-fluoro-3-(4-piperidinyl)benzisoxazole, 95%

    67. 6-fluoro-3-piperidine-4-yl-1,2-benzisoxazole

    68. 4-(6- Fluoro-1,2-benzisoxazol-3-yl)piperidine

    69. 4-(6-fluoro-1,2- Benzisoxazol-3-yl)piperidine

    70. 4-(6-fluoro-1,2-benzisoxazol-3-yl) Piperidine

    71. 4-(6-fluoro-1.2-benzisoxazol-3-yl) Piperidine

    72. 4-(6-fluoro-benzo[d]isoxazol-3-yl)-piperidine

    73. 6 -fluoro-3-(4-piperidinyl)-1,2-benzisoxazole

    74. 6-fluoro-3-(-4-piperidinyl)-1,2-benzisoxazole

    75. 6-fluoro-3-(4-piperidinyl) -1,2-benzisoxazole

    76. 6-fluoro-3-(4-piperidinyl)- 1,2-benzisoxazole

    77. 6-fluoro-3-(4-piperidinyl)-1,2 -benzisoxazole

    78. 6-fluoro-3-(4-piperidinyl)-1,2- Benzisoxazole

    79. 6-fluoro-3-(4-piperidinyl)-1,2-benzoisoxazole

    80. 163f779

    81. J-518714

    82. 6-fluoro-3-(4-piperidinyl)benzisoxazole, Aldrichcpr

    83. 6-fluoro-3-(tetrahydropyridine-4-yl)benzo[b]isoxazole

    84. Paliperidone Related Compound B [usp Impurity]

    85. Q27256839

    86. 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidine 84163-13-3

    2.4 Create Date
    2005-07-09
    3 Chemical and Physical Properties
    Molecular Weight 220.24 g/mol
    Molecular Formula C12H13FN2O
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass220.10119120 g/mol
    Monoisotopic Mass220.10119120 g/mol
    Topological Polar Surface Area38.1 Ų
    Heavy Atom Count16
    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 Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    6-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole is a known human metabolite of risperidone.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560