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Also known as: 61337-89-1, 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol, 337376-18-8, (2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl)methanol, 1-(3-hydroxymethylpyridyl-2)-2-phenyl-4-methylpyperazine, [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
Molecular Formula
C17H21N3O
Molecular Weight
283.37  g/mol
InChI Key
PYZPABZGIRHQTA-UHFFFAOYSA-N
FDA UNII
XRO2GE880O

CAS 61337-89-1
1 2D Structure

CAS 61337-89-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
2.1.2 InChI
InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3
2.1.3 InChI Key
PYZPABZGIRHQTA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)CO
2.2 Other Identifiers
2.2.1 UNII
XRO2GE880O
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 61337-89-1

2. 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinemethanol

3. 337376-18-8

4. (2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl)methanol

5. 1-(3-hydroxymethylpyridyl-2)-2-phenyl-4-methylpyperazine

6. [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol

7. Xro2ge880o

8. 3-pyridinemethanol, 2-(4-methyl-2-phenyl-1-piperazinyl)-

9. 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-methanol

10. 1-(3-(hydroxymethyl)pyridin-2-yl)-4-methyl-2-phenylpiperazine

11. 1-(3-hydroxymethyl Pyridin-2-yl)-4-methyl-2-phenyl Piperazine

12. [2-[(2rs)-4-methyl-2-phenylpiperazin-1-yl]pyridin-3-yl]methanol

13. Mirtazapine Impurity B

14. Unii-xro2ge880o

15. Ec 700-296-8

16. 2-(4-methyl-2-phenylpiperazino)pyridine-3-methanol

17. Acyclomirtazapine Alcohol

18. Schembl1325599

19. 1-(3-hydroxidmethylpyridine)-2-phenyl-4-methyl-piperazine

20. 1-(3-hydroxymethyl-2-pyridyl)-4-methyl-2-phenylpiperazine

21. Dtxsid901036336

22. Amy40875

23. Mfcd08063948

24. Akos010505275

25. Diethyl3,4-pyrroledicarboxylate

26. Ac-15710

27. Ac-23364

28. Ds-10746

29. Db-018516

30. Db-053847

31. Cs-0313951

32. Ft-0640747

33. Ft-0727774

34. Mirtazapine Impurity B [ep Impurity]

35. F14603

36. 337m891

37. A868737

38. A875208

39. 1-(3-hydroxymethylpyridyl-2)-4-methyl-2-phenyl-piperazine

40. 1-(3-hydroxymethyl Pyridin-2-yl)-4-methyl-2-phenylpiperazine

41. 1-(3-hydroxymethyl Pyridyl-2)-4-methyl-2-phenyl-piperazine

42. 1-(3-hydroxymethylpyridin-2-yl)-4-methyl-2-phenyl Piperazine

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 283.37 g/mol
Molecular Formula C17H21N3O
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass283.168462302 g/mol
Monoisotopic Mass283.168462302 g/mol
Topological Polar Surface Area39.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity319
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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