CAS 5271-27-2

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16 Related Intermediates

Chemistry

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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

CAS 5271-27-2

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 Formula	C₁₁H₁₆N₂
Molecular Weight	176.26 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	176.131348519 g/mol
Monoisotopic Mass	176.131348519 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	152
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