1-(3,4-Dimethoxyphenyl)piperazine hydrochloride

C₁₂H₁₉ClN₂O₂CAS 16015-72-8258.75 g/mol

Open in Covalent MOL file

Ether Secondary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₉ClN₂O₂
Molar mass: 258.75 g/mol
Exact mass: 258.1135 Da
logP: 1.54Crippen estimate
Polar surface area: 33.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Identifiers

CAS number

16015-72-8

SMILES

COc1ccc(N2CCNCC2)cc1OC.Cl

InChIKey

WXLJIVYSDTVIHM-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O2.ClH/c1-15-11-4-3-10(9-12(11)16-2)14-7-5-13-6-8-14;/h3-4,9,13H,5-8H2,1-2H3;1H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Piperazine, 1-(3,4-dimethoxyphenyl)-, hydrochloride (1:1)
Piperazine, 1-(3,4-dimethoxyphenyl)-, monohydrochloride

Work with 1-(3,4-Dimethoxyphenyl)piperazine hydrochloride

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

Similar compounds

N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-567 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-767 % similar 1-(3-Methoxyphenyl)piperazine dihydrochloride6968-76-964 % similar 1-(2-Methoxyphenyl)piperazine hydrochloride5464-78-859 % similar 1-(4-Methoxyphenyl)piperazine38212-30-558 % similar 1-(3-Methoxyphenyl)piperazine16015-71-756 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-155 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride18807-73-3

Elsewhere

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