CAS 913614-18-3

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3 End Use APIs
14 Related Intermediates

Chemistry

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Also known as: 913614-18-3, 1-(1-benzothiophen-4-yl)piperazine hydrochloride, 1-(1-benzothiophen-4-yl)piperazine;hydrochloride, Piperazine, 1-benzo[b]thien-4-yl-, hydrochloride, 1-(4-benzothienyl)piperazine hydrochloride, 1-benzo[b]thien-4-yl-piperazine monohydrochloride

Molecular Formula

C₁₂H₁₅ClN₂S

Molecular Weight

254.78 g/mol

InChI Key

XDUUWPNOUUQXBX-UHFFFAOYSA-N

1 2D Structure

CAS 913614-18-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(1-benzothiophen-4-yl)piperazine;hydrochloride

2.1.2 InChI

InChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H

2.1.3 InChI Key

XDUUWPNOUUQXBX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C2=C3C=CSC3=CC=C2.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 913614-18-3

2. 1-(1-benzothiophen-4-yl)piperazine Hydrochloride

3. 1-(1-benzothiophen-4-yl)piperazine;hydrochloride

4. Piperazine, 1-benzo[b]thien-4-yl-, Hydrochloride

5. 1-(4-benzothienyl)piperazine Hydrochloride

6. 1-benzo[b]thien-4-yl-piperazine Monohydrochloride

7. Mfcd26743820

8. 1-benzo[b]thien-4-yl-piperazine Hydrochloride

9. 1-(1-benzothiophen-4-yl)piperazine Hcl

10. 1-benzo[b]thiophene-4-yl-piperazine Hydrochloride

11. Schembl294116

12. Amy3597

13. Bcp12824

14. 1-benzo[b]thien-4-yl-piperazine Hcl

15. Akos025291106

16. Ds-7609

17. Sb17588

18. 1-(benzo[b]thiophen-4-yl)piperazine Hcl

19. Ac-30408

20. Da-31648

21. Sy047421

22. Cs-0028119

23. Ft-0718164

24. 1-benzo[b]thiophen-4-ylpiperazine Hydrochloride

25. P14087

26. 1-(benzo[b]thiophen-4-yl)piperazinehydrochloride

27. 1-benzo[b]thiophen-4-yl Piperazine Hydrochloride

28. 1-benzo[b]thiophen-4-yl-piperazine Hydrochloride

29. 4-(1-piperazinyl)benzo[b]thiophene Hydrochloride

30. L-benzo[b]thiophen-4-yl-piperazine Hydrochloride

31. A855309

32. L-benzo[b]thiophene-4-yl-piperazine Hydrochloride

33. 1-benzo[b]thien-4-yl-piperazine Hydrochloride, Aldrichcpr

34. Piperazine, 1-benzo[b]thien-4-yl-, Hydrochloride (1:1)

35. 1-(benzo[b]thiophen-4-yl)piperazine Hydrochloride;1-(4-benzothienyl)piperazine Hydrochloride

2.3 Create Date

2012-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅ClN₂S
Molecular Weight	254.78 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	254.0644474 g/mol
Monoisotopic Mass	254.0644474 g/mol
Topological Polar Surface Area	43.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	216
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