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2D Structure
Also known as: 5271-27-2, 1-methyl-3-phenyl-piperazine, 1-methyl-3-phenyl piperazine, 1-n-methyl-3-phenyl-piperazine, Piperazine, 1-methyl-3-phenyl-, (+/-)-3-phenyl-1-methylpiperazine
Molecular Formula
C11H16N2
Molecular Weight
176.26  g/mol
InChI Key
IRMBVBDXXYXPEW-UHFFFAOYSA-N
FDA UNII
2ZO535841F

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methyl-3-phenylpiperazine
2.1.2 InChI
InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
2.1.3 InChI Key
IRMBVBDXXYXPEW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCNC(C1)C2=CC=CC=C2
2.2 Other Identifiers
2.2.1 UNII
2ZO535841F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5271-27-2

2. 1-methyl-3-phenyl-piperazine

3. 1-methyl-3-phenyl Piperazine

4. 1-n-methyl-3-phenyl-piperazine

5. Piperazine, 1-methyl-3-phenyl-

6. (+/-)-3-phenyl-1-methylpiperazine

7. 1-methy-3-phenylpiperazine

8. 3-phenyl-1-methylpiperazine, (+/-)-

9. Dl-1-methyl-3-phenyl-piperazine

10. Mfcd03411603

11. 2zo535841f

12. Unii-2zo535841f

13. 1-methyl-3-phenyl-1-piperazine

14. Ec 431-180-2

15. N-methyl-3-phenylpiperazine

16. Schembl90572

17. Chembl2177127

18. Dtxsid30967157

19. Hms1788l18

20. Albb-006054

21. Bcp22012

22. 1-methyl-3-phenylpiperazine, 97%

23. Stk500650

24. Akos000266736

25. Akos016323497

26. Ab14171

27. Am85340

28. Cs-w003047

29. Fs-1661

30. Sb46668

31. Ac-14445

32. Db-019250

33. 1-methyl-3-phenylpiperazine 19509-11-6

34. Ft-0635596

35. Ft-0658887

36. M1685

37. En300-13495

38. A844449

39. A905726

40. Q27255866

41. 1-methyl-3-phenylpiperazine;1-n-methyl-3-phenyl-piperazine

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 176.26 g/mol
Molecular Formula C11H16N2
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass176.131348519 g/mol
Monoisotopic Mass176.131348519 g/mol
Topological Polar Surface Area15.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity152
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1