CAS 84145-43-7

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Chemistry

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Also known as: 84145-43-7, 70849-64-8, Piperazine, 1-(4-methoxyphenyl)-, monohydrochloride, 1-(4-methoxyphenyl)piperazine;hydrochloride, 1-(para-methoxyphenyl)piperazine hydrochloride, Nsc-71661

Molecular Formula

C₁₁H₁₇ClN₂O

Molecular Weight

228.72 g/mol

InChI Key

HFJDUYKRPHHPAX-UHFFFAOYSA-N

FDA UNII

ARJ7BR8SNG

1 2D Structure

CAS 84145-43-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-methoxyphenyl)piperazine;hydrochloride

2.1.2 InChI

InChI=1S/C11H16N2O.ClH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H

2.1.3 InChI Key

HFJDUYKRPHHPAX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)N2CCNCC2.Cl

2.2 Other Identifiers

2.2.1 UNII

ARJ7BR8SNG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 84145-43-7

2. 70849-64-8

3. Piperazine, 1-(4-methoxyphenyl)-, Monohydrochloride

4. 1-(4-methoxyphenyl)piperazine;hydrochloride

5. 1-(para-methoxyphenyl)piperazine Hydrochloride

6. Nsc-71661

7. 1-(4-methoxyphenyl)piperazine-1,4-diylium Dichloride

8. 1-(4-methoxyphenyl)piperazinium Chloride

9. Arj7br8sng

10. 1-(4-methoxylphenyl)piperazine Hydrochloride

11. Schembl1724680

12. Dtxsid50480212

13. 1-(4-methoxyphenyl)piperazine Hcl

14. Amy32502

15. Nsc71661

16. Akos015897766

17. 4-methoxyphenyl Piperazine Hydrochloride

18. Ac-25795

19. As-65778

20. Db-027271

21. Cs-0456123

22. Ft-0650001

23. Ft-0650010

24. 1-(4-methoxy-phenyl)-piperazine; Hydrochloride

25. D97787

26. 145m437

27. A837007

28. 1-(4-methoxyphenyl)piperazine (hydrochloride)

29. 5-(2,5-dimethoxy-phenyl)-2h-pyrazole-3-carboxylicacid

2.4 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇ClN₂O
Molecular Weight	228.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	24.5
Heavy Atom Count	15
Formal Charge	0
Complexity	161
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