CAS 109887-53-8

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Also known as: 109887-53-8, 318279-38-8, (4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol, [4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol, Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, Trans-4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine

Molecular Formula

C₁₃H₁₈FNO

Molecular Weight

223.29 g/mol

InChI Key

CXRHUYYZISIIMT-UHFFFAOYSA-N

1 2D Structure

CAS 109887-53-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[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

2.1.3 InChI Key

CXRHUYYZISIIMT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 MeSH Synonyms

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

2. 4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

3. 4-fhmp Cpd

2.2.2 Depositor-Supplied Synonyms

1. 109887-53-8

2. 318279-38-8

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

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

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

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

7. 4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

8. Ent-paroxol

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

10. (3r,4s)-4-(4-fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

11. Mfcd06658161

12. Starbld0018161

13. Paroxetine Impurity 18

14. ((3r,4r)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

15. Schembl1944024

16. Dtxsid10871546

17. Bcp12375

18. Bcp25072

19. Ac-449

20. N-acetyl-l-cysteinemethylester

21. Akos005063663

22. Ab14230

23. Sb43824

24. Sb45323

25. Sb49401

26. As-13391

27. Da-23182

28. Sy013729

29. Db-017872

30. Db-017981

31. Cs-0165676

32. Ft-0642608

33. Ft-0642686

34. Ft-0655780

35. Ft-0673524

36. 1-methyl-4-(4-fluorophenyl)piperidine-3-methanol

37. 887f538

38. A801322

39. [4-(4-fluorophenyl)-1- Methylpiperidin-3-yl]methanol

40. [4-(4-fluorophenyl)-1-methyl-3-piperidinyl]methanol

41. [4-(4-fluorophenyl)-1-methyl-piperidin-3-yl]methanol

42. 4-(p-flurophenyl)-3-hydroxymethyl-n-methyl-piperidine

43. 4-(4-fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine;

44. (+/-)4-p-fluorophenyl-3-hydroxymethyl-1-methylpiperidine

45. 4-(3,3-dimethyl-5-oxo-cyclohexylideneamino)-benzoicacid

46. (+)-paroxol;((3r,4s)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl)methanol

47. [4-(4-fluoro-phenyl)-1-methyl-piperidin-3-yl]-methanol? (paroxetine Impurity Pound(c)

2.3 Create Date

2006-10-25

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	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1