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CAS 105812-81-5
PharmaCompass
CAS 105812-81-5
Also known as: 105812-81-5, (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol, Unii-idr7471br7, [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol, 109887-53-8
Molecular Formula
C13H18FNO
Molecular Weight
223.291  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. (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

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

4. Unii-idr7471br7

5. [(3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol

6. 109887-53-8

7. Ak-32761

8. St086166

9. (3s)-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

10. (3s,4r)-[4-(4-fluoro-phenyl)-1-methyl-piperidin-3-yl]-methanol

11. 3-piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3s,4r)-

12. Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine

13. ((3s,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

14. (3s,4r)-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

15. C13h18fno

16. Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

17. [(3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methanol

18. 318279-38-8

19. Pubchem5786

20. Ac1mc0ml

21. Ksc497a8l

22. Idr7471br7

23. Schembl1944023

24. Jsp000541

25. Paroxol 1.0 Mg/ml In Methanol

26. Ctk3j7085

27. Cxrhuyyzisiimt-aaeuagobsa-n

28. Molport-003-849-793

29. Am683

30. Acn-s003531

31. Zinc2529787

32. 4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (-)-trans-

33. Anw-52418

34. Cf-258

35. Cf0013

36. Mfcd06658161

37. 4-(4-fluorophenyl)-3-(hydroxymethyl)-1-methylpiperidine, (+/-)-trans-

38. Akos015853527

39. Akos015895971

40. Ac-8186

41. An-8248

42. Cs-w003303

43. Fs-2563

44. Fs-3020

45. Rp27469

46. Rtc-064069

47. Ac-11787

48. Ac-16240

49. Aj-38431

50. An-15801

51. Br-32761

52. Cc-00590

53. I056

54. Kb-62807

55. Pc300797

56. Sc-46065

57. Sy013729

58. Ab0013455

59. Ab1004561

60. Ax8014895

61. Db-017981

62. St2407997

63. Tc-064069

64. Bg01526309

65. F0878

66. Ft-0642608

67. Ft-0655780

68. Ks-00000961

69. A-2106

70. 812f815

71. C-12556

72. I06-1299

73. J-501283

74. J-513513

75. ((3s)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

76. 1-methyl-4alpha-(4-fluorophenyl)piperidine-3beta-methanol

77. Unii-qra30yt0av Component Cxrhuyyzisiimt-aaeuagobsa-n

78. (-)trans-4r-(4-fluorophenyl)-3s-hydroxymethyl-1-me

79. (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1methylpiperidine

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

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

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

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

84. (-)trans-4-(4-fluorophenyl)-3-hydroxy Methyl -n-methyl Piperidine

85. (4r,3s)-4-(4-fluorophenyl)-3-hydroxymethyl-n-methylpiperidine

86. [(3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidyl]methan-1-ol

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

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

89. (3s,4r)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, Aldrichcpr

90. (3s,4r)-4-(4'-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine; (3s,4r)-4-(4-fluorophenyl)-1-methyl-3-piperidinemethanol

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 223.291 g/mol
Molecular Formula C13H18FNO
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass223.137 g/mol
Monoisotopic Mass223.137 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count16
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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