1-(4-Chlorophenyl)piperazine hydrochloride

C₁₀H₁₄Cl₂N₂CAS 13078-12-1233.14 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₄Cl₂N₂
Molar mass: 233.14 g/mol
Exact mass: 232.0534 Da
logP: 2.17Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13078-12-1

SMILES

C1CN(CCN1)C2=CC=C(C=C2)Cl.Cl

InChIKey

ZHGRQBSZTVJDHU-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H

Weigh it out

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

Work with 1-(4-Chlorophenyl)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

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-Chlorophenyl)piperazine38212-33-8Free base N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-4Salt

Similar compounds

1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-766 % similar 1-Phenylpiperazine hydrochloride2210-93-766 % similar 1-(4-Fluorophenyl)piperazine dihydrochloride64090-19-365 % similar 1-(4-Bromophenyl)piperazine monohydrochloride68104-62-165 % similar Piperazine, 1-(3,4-dichlorophenyl)-, hydrochloride (1:2)76835-17-161 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-559 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-759 % similar 1-(3,5-Dichlorophenyl)piperazine55827-50-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Chlorophenyl)piperazine hydrochloride13078-15-4 N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-8 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-8

Elsewhere

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