CAS 61337-89-1

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Chemistry

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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

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 Formula	C₁₇H₂₁N₃O
Molecular Weight	283.37 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	283.168462302 g/mol
Monoisotopic Mass	283.168462302 g/mol
Topological Polar Surface Area	39.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	319
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1