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Overview of CAS 61338-13-4

Client Email Product
4CH-017634
PharmaCompass
4CH-017634
Also known as: 61338-13-4, 1-(3-carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine, 1-(3-carboxypyridyl-2)-2-phenyl-4-methyl piperazine, 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid, Ak111373, Schembl1711306
Molecular Formula
C17H19N3O2
Molecular Weight
297.358  g/mol
InChI Key
HCVDLMUVEGPGGH-UHFFFAOYSA-N

1 2D Structure

4CH-017634

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
2.1.2 InChI
InChI=1S/C17H19N3O2/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16/h2-9,15H,10-12H2,1H3,(H,21,22)
2.1.3 InChI Key
HCVDLMUVEGPGGH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 61338-13-4

2. 1-(3-carboxypyrid-2-yl)-2-phenyl-4-methyl-piperazine

3. 1-(3-carboxypyridyl-2)-2-phenyl-4-methyl Piperazine

4. 2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic Acid

5. Ak111373

6. Schembl1711306

7. Ctk2f2798

8. Dtxsid10431664

9. Hcvdlmuvegpggh-uhfffaoysa-n

10. Molport-004-367-016

11. 2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carboxylic Acid

12. Ebd25142

13. Ks-00000ls9

14. Mfcd08458719

15. Akos000214602

16. Ds-5207

17. Or17666

18. Ac-28316

19. An-39273

20. He004441

21. He182356

22. R482

23. Ax8050504

24. Kb-146947

25. St2403973

26. 4ch-017634

27. Ft-0664345

28. 338c134

29. 1-(3-carboxypyrid-2-yl)-2-phenyl-4-methylpiperazine

30. 3b1-006657

31. 2-(4-methyl-2-phenylpiperazino)-3-pyridinecarboxylic Acid

32. 2-(4-methyl-2-phenylpiperazin-1-yl) Pyridine-3-carboxylic Acid

33. 3-pyridinecarboxylicacid, 2-(4-methyl-2-phenyl-1-piperazinyl)-

34. 1-(3-carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine; 2-(4-methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic Acid

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 297.358 g/mol
Molecular Formula C17H19N3O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass297.148 g/mol
Monoisotopic Mass297.148 g/mol
Topological Polar Surface Area56.7 A^2
Heavy Atom Count22
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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