CAS 16015-69-3

Chemistry

Chemistry

Also known as: 16015-69-3, Tfmpp hydrochloride, 1-(3-trifluoromethylphenyl)piperazine monohydrochloride, 1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride, 1-(3-(trifluoromethyl)phenyl)piperazine hydrochloride, 1-(3-(trifluoromethyl)phenyl)piperazinium chloride

Molecular Formula

C₁₁H₁₄ClF₃N₂

Molecular Weight

266.69 g/mol

InChI Key

DGNLGWJZZZOYPT-UHFFFAOYSA-N

FDA UNII

41P8ENH29V

1 2D Structure

CAS 16015-69-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

2.1.2 InChI

InChI=1S/C11H13F3N2.ClH/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;/h1-3,8,15H,4-7H2;1H

2.1.3 InChI Key

DGNLGWJZZZOYPT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C2=CC=CC(=C2)C(F)(F)F.Cl

2.2 Other Identifiers

2.2.1 UNII

41P8ENH29V

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 16015-69-3

2. Tfmpp Hydrochloride

3. 1-(3-trifluoromethylphenyl)piperazine Monohydrochloride

4. 1-[3-(trifluoromethyl)phenyl]piperazine Hydrochloride

5. 1-(3-(trifluoromethyl)phenyl)piperazine Hydrochloride

6. 1-(3-(trifluoromethyl)phenyl)piperazinium Chloride

7. 1-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride

8. 41p8enh29v

9. Piperazine, 1-[3-(trifluoromethyl)phenyl]-, Monohydrochloride

10. 1-(3-trifluoromethylphenyl)piperazine, Mono Hcl

11. N- (3-trifluoromethylphenyl)piperazine Hydrochloride (tfmpp)

12. N-(3-trifluoromethylphenyl)piperazine Hydrochloride

13. Smr000449305

14. Unii-41p8enh29v

15. Einecs 240-153-2

16. (tfmpp)

17. Mls000758206

18. Mls001424035

19. Schembl720648

20. Spectrum1503633

21. Chembl1358289

22. Dtxsid10166808

23. 1-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazine Hydrochloride

24. Bcp13652

25. Ac-806

26. Ccg-39351

27. Akos003851912

28. Cs-w021224

29. Lf-0554

30. Nc00072

31. Ncgc00095853-01

32. 1-(3-trifluoromethylphenyl)piperazine Hcl

33. 4-(3-trifluoromethylphenyl)piperazine Hcl

34. Db-024585

35. Ft-0629620

36. 015t693

37. 1-(3-(trifluoromethyl)phenyl)piperazine Hcl

38. 1-(3-trifluoromethyl)phenylpiperazine Hydrochloride

39. 1-(3-trifluoromethylphenyl) Piperazine Hydrochloride

40. W-107980

41. N-(3-trifluoromethyl-phenyl)-piperazine Hydrochloride

42. Q27258460

43. 1-(3-trifluoromethylphenyl)piperazine Mono Hydrochloride

44. 3-trifluoromethylphenylpiperazine Hydrochloride Solution

45. Tfmpp Hcl (1-(3-trifluoromethylphenyl)piperazine Hydrochloride)

46. 1-( Alpha , Alpha , Alpha -trifluoro-m-tolyl)piperazine Hydrochloride

47. 1-(alpha,alpha,alpha-trifluoro-m-tolyl)piperazine Hydrochloride, 99%

48. Piperazine, 1-(3-(trifluoromethyl)phenyl)-, Hydrochloride (1:1)

49. Piperazine, 1-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-, Monohydrochloride

50. 162209-40-7

51. 3-trifluoromethylphenylpiperazine Hydrochloride Solution, 1.0 Mg/ml In Methanol (as Free Base), Ampule Of 1 Ml, Certified Reference Material

52. Tfmpp Hcl (1-(3-trifluoromethylphenyl)piperazine Hydrochloride) 1.0 Mg/ml In Methanol (as Free Base)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄ClF₃N₂
Molecular Weight	266.69 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	266.0797606 g/mol
Monoisotopic Mass	266.0797606 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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