Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)

C₁₀H₁₄Cl₄N₂CAS 76835-17-1304.04 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄Cl₄N₂
Molar mass: 304.04 g/mol
Exact mass: 301.9911 Da
logP: 3.25Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

76835-17-1

SMILES

Cl.Cl.Clc1ccc(N2CCNCC2)cc1Cl

InChIKey

VADUZJRSQFZLPH-UHFFFAOYSA-N

InChI

InChI=1S/C10H12Cl2N2.2ClH/c11-9-2-1-8(7-10(9)12)14-5-3-13-4-6-14;;/h1-2,7,13H,3-6H2;2*1H

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Names and synonyms

1 names

Piperazine, 1-(3,4-dichlorophenyl)-, dihydrochloride

Work with Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)

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

1-(3,4-Dichlorophenyl)piperazine57260-67-089 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-161 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-461 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-460 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-860 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-760 % similar Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)65369-76-860 % similar 1-[4-Chloro-3-(trifluoromethyl)phenyl]piperazine41213-04-158 % similar

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

Elsewhere

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