CAS 105812-81-5 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
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

CAS 105812-81-5
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 Weight 223.29 g/mol
Molecular Formula C13H18FNO
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass223.137242360 g/mol
Monoisotopic Mass223.137242360 g/mol
Topological Polar Surface Area23.5 Ų
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

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty