N-(4-Chlorophenyl)piperazine dihydrochloride

C₁₀H₁₅Cl₃N₂CAS 38869-46-4269.59 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₅Cl₃N₂
Molar mass: 269.59 g/mol
Exact mass: 268.0301 Da
logP: 2.59Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

38869-46-4

SMILES

Cl.Cl.Clc1ccc(N2CCNCC2)cc1

InChIKey

ORKOLISAYPZGHP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Piperazine, 1-(4-chlorophenyl)-, hydrochloride (1:2)
Piperazine, 1-(4-chlorophenyl)-, dihydrochloride
1-(4-Chlorophenyl)piperazine dihydrochloride
4-(4-Chlorophenyl)piperazine dihydrochloride

Work with N-(4-Chlorophenyl)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-Chlorophenyl)piperazine38212-33-8Free base 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-1Salt

Similar compounds

1-(3-Chlorophenyl)piperazine hydrochloride13078-15-466 % similar 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-866 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook