CAS 16015-70-6

1 2D Structure

CAS 16015-70-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-methoxyphenyl)piperazine;hydrochloride

2.1.2 InChI

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

2.1.3 InChI Key

QOQLPYRYJCBRNU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

UI3G4CVQ3Z

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 16015-70-6

2. 3-meopp Hcl

3. N-(3-methoxyphenyl)piperazine Hydrochloride

4. Ui3g4cvq3z

5. 1-(3-methoxyphenyl)piperazine;hydrochloride

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

7. Piperazine, 1-(m-methoxyphenyl)-, Monohydrochloride

8. Piperazine, 1-(3-methoxyphenyl)-, Hydrochloride (1:1)

9. 1-(3-methoxyphenyl)piperazine Hcl

10. Nsc-66266

11. 70849-62-6

12. 1-(3-methoxylphenyl)piperazine Hcl

13. Unii-ui3g4cvq3z

14. Schembl1706127

15. Cs-b1530

16. Nsc66266

17. Mfcd08448702

18. Akos025149812

19. As-75574

20. 68m769

21. C13174

22. Sr-01000641477-1

23. Q27291086

2.4 Create Date

2007-02-08

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	228.1029409 g/mol
Monoisotopic Mass	228.1029409 g/mol
Topological Polar Surface Area	24.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	169
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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CAS 16015-70-6

Chemistry

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