CAS 105812-81-5

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8 Related Intermediates

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Also known as: 105812-81-5, Paroxol, [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol, (3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol, 109887-53-8, 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3s,4r)-

Molecular Formula

C₁₃H₁₈FNO

Molecular Weight

223.29 g/mol

InChI Key

CXRHUYYZISIIMT-AAEUAGOBSA-N

FDA UNII

IDR7471BR7

1 2D Structure

CAS 105812-81-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S,4R)-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/t11-,13-/m0/s1

2.1.3 InChI Key

CXRHUYYZISIIMT-AAEUAGOBSA-N

2.1.4 Canonical SMILES

CN1CCC(C(C1)CO)C2=CC=C(C=C2)F

2.1.5 Isomeric SMILES

CN1CC[C@H]([C@@H](C1)CO)C2=CC=C(C=C2)F

2.2 Other Identifiers

2.2.1 UNII

IDR7471BR7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 105812-81-5

2. Paroxol

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

4. (3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

5. 109887-53-8

6. 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3s,4r)-

7. Qra30yt0av

8. Idr7471br7

9. ((3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

10. (+/-)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

11. 4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (-)-trans-

12. 4-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine, (+/-)-trans-

13. 318279-38-8

14. Unii-qra30yt0av

15. Unii-idr7471br7

16. (3s)-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

17. Mfcd06658161

18. (-)-paroxol

19. Trans-paroxol

20. Ec 406-030-4

21. Ec 415-550-0

22. (+/-)-paroxol

23. Schembl1944023

24. Paroxol, Trans-(-)-

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

26. Chembl4971536

27. Paroxol 1.0 Mg/ml In Methanol

28. Paroxol, (+/-)-

29. Dtxsid90909750

30. Am683

31. Dtxsid701335734

32. Paroxol, Trans-(+/-)-

33. Zinc2529787

34. (-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

35. (3s,4r)-[4-(4-fluoro-phenyl)-1-methyl-piperidin-3-yl]-methanol

36. Mfcd03411902

37. Akos015853527

38. Akos015895971

39. Ac-8186

40. Cs-w003303

41. Fs-2563

42. Fs-3020

43. Ac-11787

44. Ac-16240

45. F0878

46. 812f815

47. J-501283

48. J-513513

49. ((3s)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

50. (4r,3s)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

51. 1-methyl-4alpha-(4-fluorophenyl)piperidine-3beta-methanol

52. (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1methylpiperidine

53. (3s-trans)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

54. (+/-) Trans-4-(4'-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

55. (+/-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

56. (+/-)-trans-4-(4'fluorophenyl)-3-hydroxymethyl-n-methyl Piperidine

57. (-)-trans-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

58. (-)-trans-4-(4-fluorophenyl)-1-methyl-3-hydroxymethylpiperidine

59. (-)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

60. (4r,3s)-4-(4-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

61. (+/-)-trans-[4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]-methanol

62. (-)trans-4r-(4-fluorophenyl)-3s-hydroxymethyl-1-methylpiperidine

63. (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, Aldrichcpr

64. 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3s-trans)-

65. 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, Trans-(+/-)-

66. Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3r,4s)-rel-

67. Trans-n-methyl-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine

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

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

70. Jld

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₈FNO
Molecular Weight	223.29 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	223.137242360 g/mol
Monoisotopic Mass	223.137242360 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1