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CAS-6640-24-0

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46 Related Intermediates

Chemistry

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Also known as: 6640-24-0, M-chlorophenylpiperazine, 3-chlorophenyl piperazine, M-cpp, 1-(m-chlorophenyl)piperazine, 3-chlorophenylpiperazine

Molecular Formula

C₁₀H₁₃ClN₂

Molecular Weight

196.67 g/mol

InChI Key

VHFVKMTVMIZMIK-UHFFFAOYSA-N

FDA UNII

REY0CNO998

m-Chlorophenylpiperazine has been used in trials studying the treatment of Alcoholism.

1 2D Structure

CAS 6640-24-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-chlorophenyl)piperazine

2.1.2 InChI

InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2

2.1.3 InChI Key

VHFVKMTVMIZMIK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C2=CC(=CC=C2)Cl

2.2 Other Identifiers

2.2.1 UNII

REY0CNO998

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(3-chlorophenyl)piperazine Dihydrochloride

2. 1-(3-chlorophenyl)piperazine Monohydrochloride

3. 1-(m-chlorophenyl)piperazine

4. 1-3-cpp

5. 3-chlorophenylpiperazine

6. Dihydrochloro Phenyl Piperazine

7. M-chlorophenylpiperazine

8. M-cpp

9. Meta-chlorophenylpiperazine

2.3.2 Depositor-Supplied Synonyms

1. 6640-24-0

2. M-chlorophenylpiperazine

3. 3-chlorophenyl Piperazine

4. M-cpp

5. 1-(m-chlorophenyl)piperazine

6. 3-chlorophenylpiperazine

7. 1-(3-chlorophenyl) Piperazine

8. Piperazine, (3-chlorophenyl)-

9. Chembl478

10. Rey0cno998

11. 1-(3-chlorophenyl)-piperazine (m-cpp)

12. Chebi:10588

13. Nsc-49307

14. Ncgc00015247-04

15. Dsstox_cid_25138

16. Dsstox_rid_80696

17. Dsstox_gsid_45138

18. Meta-chlorophenylpiperazine

19. Nsc 49307

20. Cas-6640-24-0

21. 1-(3-chlorophenyl)-piperazine

22. 1-(3-chlorophenyl)piperazinehydrochloride

23. Einecs 229-654-7

24. Unii-rey0cno998

25. Meta Chlorophenyl Piperazine

26. N-(3-chlorophenyl)piperazine

27. 4-(3-chlorophenyl)piperazine

28. 1-(3-chloro Phenyl)piperazine

29. Piperazine, 1-(3-chlorophenyl)-

30. Tocris-0875

31. 3cpp

32. Lopac-c-5554

33. (m-cpp)

34. Biomol-nt_000129

35. Ec 229-654-7

36. Meta-chlorophenyl-piperazine

37. (3-chlorophenyl)-piperazine

38. Lopac0_000245

39. Schembl48931

40. 4-(m-chlorophenyl)piperazine

41. Gtpl142

42. (3-chloro-phenyl)-piperazine

43. N-(m-chlorophenyl)-piperazine

44. 4-(3-chlorophenyl)-piperazine

45. Bpbio1_000067

46. Zinc4285

47. Dtxsid9045138

48. 1-(3-chloro-phenyl)-piperazine

49. M-chlorophenylpiperazine (m-cpp)

50. Piperazine, 1-(m-chlorophenyl)-

51. Albb-005970

52. Bcp15052

53. Cs-d0555

54. Nsc49307

55. Tox21_110110

56. Bdbm50001915

57. Pdsp1_000002

58. Pdsp2_000002

59. Stk397316

60. Akos000101295

61. Tox21_110110_1

62. 1-m-chlorophenyl Piperazine Metabolite

63. Ccg-204340

64. Db12110

65. Gf-0110

66. Ncgc00015247-01

67. Ncgc00015247-02

68. Ncgc00015247-03

69. Ncgc00015247-05

70. Ncgc00015247-07

71. Ncgc00024836-01

72. Ncgc00024836-02

73. Ncgc00024836-03

74. Ac-23379

75. Db-024578

76. J227.960f

77. A8960

78. Bb 0254666

79. Aj-333/09217060

80. L000009

81. Q286112

82. W-104754

83. Brd-k75844781-001-01-9

84. Brd-k75844781-003-03-1

85. 1-(m-chlorophenyl)piperazine; 4-(3-chlorophenyl)piperazine; N-(3-chlorophenyl)piperazine; N-(m-chlorophenyl)piperazine

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₃ClN₂
Molecular Weight	196.67 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	196.0767261 g/mol
Monoisotopic Mass	196.0767261 g/mol
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157
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	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Serotonin Receptor Agonists

Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS. (See all compounds classified as Serotonin Receptor Agonists.)

4.2 Metabolism/Metabolites

1-(3-Chlorophenyl)piperazine has known human metabolites that include 2-chloro-4-(piperazin-1-yl)phenol.

1-(3-Chlorophenyl)piperazine is a known human metabolite of etoperidone, nefazodone, and trazodone.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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