CAS 84163-77-9

Chemistry, 1 End Use API, 8 Related Intermediates

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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

CAS 84163-77-9

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 Formula	C₁₂H₁₃FN₂O
Molecular Weight	220.24 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.10119120 g/mol
Monoisotopic Mass	220.10119120 g/mol
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	245
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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

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