CAS 6968-76-9

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Also known as: 6968-76-9, 1-(3-methoxyphenyl)piperazine 2hcl, 1-(3-methoxyphenyl)piperazine dihcl, 1-(3-methoxyphenyl)piperazine;dihydrochloride, N-(3-methoxyphenyl)piperazine dihydrochloride, Piperazine, 1-(3-methoxyphenyl)-, dihydrochloride

Molecular Formula

C₁₁H₁₈Cl₂N₂O

Molecular Weight

265.18 g/mol

InChI Key

UKUNKQNESKRETR-UHFFFAOYSA-N

FDA UNII

Q0T82QHG7N

1 2D Structure

CAS 6968-76-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-methoxyphenyl)piperazine;dihydrochloride

2.1.2 InChI

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

2.1.3 InChI Key

UKUNKQNESKRETR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

Q0T82QHG7N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6968-76-9

2. 1-(3-methoxyphenyl)piperazine 2hcl

3. 1-(3-methoxyphenyl)piperazine Dihcl

4. 1-(3-methoxyphenyl)piperazine;dihydrochloride

5. N-(3-methoxyphenyl)piperazine Dihydrochloride

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

7. Q0t82qhg7n

8. 4-(3-methoxyphenyl)piperazine Dihydrochloride

9. 1-(3-methoxyphenyl)piperazine Hcl

10. Nsc-66266

11. Unii-q0t82qhg7n

12. Einecs 230-189-7

13. Mfcd00035285

14. 70849-62-6

15. 3-meopp 2hcl

16. Schembl1024982

17. Dtxsid20219975

18. Ukunkqneskretr-uhfffaoysa-n

19. Ccg-52231

20. Nsc 66266

21. Akos003884632

22. Lf-0551

23. Sy018372

24. (m-methoxyphenyl)piperazine Dihydrochloride

25. 4-(m-methoxyphenyl)piperazine Dihydrochloride

26. A9217

27. Am20060788

28. Cs-0016010

29. Ft-0605632

30. En300-30155

31. 1-(3-methoxy-phenyl)piperazine Dihydrochloride

32. W-104604

33. Q27286861

34. F2190-0514

35. 1-(3-methoxyphenyl)piperazine Dihydrochloride, Aldrichcpr

36. Piperazine, 1-(3-methoxyphenyl)-, Hydrochloride (1:2)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₈Cl₂N₂O
Molecular Weight	265.18 g/mol
Hydrogen Bond Donor Count	3
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	16
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	3