N-(4-Methoxyphenyl)piperazine dihydrochloride

C11H18Cl2N2OCAS 38869-47-5265.18 g/mol

Open in Covalent MOL file
ONNHHClHCl
EtherSecondary amineTertiary amine

Properties

Molecular formula
C11H18Cl2N2O
Molar mass
265.18 g/mol
Exact mass
264.0796 Da
logP
1.95Crippen estimate
Polar surface area
24.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
38869-47-5
SMILES
COc1ccc(N2CCNCC2)cc1.Cl.Cl
InChIKey
MMXANKLJIHSIQH-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O.2ClH/c1-14-11-4-2-10(3-5-11)13-8-6-12-7-9-13;;/h2-5,12H,6-9H2,1H3;2*1H

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Names and synonyms

6 names
  • 1-(4-Methoxyphenyl)-piperazine, dihydrochloride
  • Piperazine, 1-(4-methoxyphenyl)-, hydrochloride (1:2)
  • Piperazine, 1-(4-methoxyphenyl)-, dihydrochloride
  • 1-(p-Methoxyphenyl)piperazine dihydrochloride
  • 1-(4-Methoxyphenyl)piperazine dihydrochloride
  • 4-(4-Methoxyphenyl)piperazine dihydrochloride

Work with N-(4-Methoxyphenyl)piperazine dihydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(4-Methoxyphenyl)piperazine38212-30-5Free base 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-7Salt

Similar compounds

1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-867 % similar 1-(3,5-Dimethoxyphenyl)piperazine53557-93-062 % similar 1-(3-Methoxyphenyl)piperazine16015-71-759 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-159 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-459 % similar 1-(4-Ethoxyphenyl)piperazine46415-29-658 % similar 1-Phenylpiperazine hydrochloride2210-93-758 % similar 1-(4-Fluorophenyl)piperazine dihydrochloride64090-19-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-9

Elsewhere

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