1-(3-Chlorophenyl)piperazine

C₁₀H₁₃ClN₂CAS 6640-24-0196.68 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₃ClN₂
Molar mass: 196.68 g/mol
Exact mass: 196.0767 Da
Melting point: 235–238 °C
logP: 1.75Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed71.2% of notifiers
H315 Causes skin irritation89.8% of notifiers
H319 Causes serious eye irritation89.8% of notifiers
H335 May cause respiratory irritation89.8% of notifiers
H361 Suspected of damaging fertility or the unborn child18.6% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6640-24-0

SMILES

Clc1cccc(N2CCNCC2)c1

InChIKey

VHFVKMTVMIZMIK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

4-(3-Chlorophenyl)piperazine
Piperazine, 1-(3-chlorophenyl)-
Piperazine, 1-(m-chlorophenyl)-
N-(m-Chlorophenyl)piperazine
N-(3-Chlorophenyl)piperazine
1-(m-Chlorophenyl)piperazine
m-CPP
NSC 49307
mCPP
mCPP (pharmaceutical)

Work with 1-(3-Chlorophenyl)piperazine

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-(3-Chlorophenyl)piperazine dihydrochloride51639-49-7Salt 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-4Salt 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-8Salt

Similar compounds

1-(3,5-Dichlorophenyl)piperazine55827-50-468 % similar 1-(3-Fluorophenyl)piperazine3801-89-665 % similar 1-(3-Biphenylyl)piperazine115761-61-063 % similar 1-(3-Bromophenyl)piperazine31197-30-563 % similar 1-(3-Methylphenyl)piperazine41186-03-263 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-263 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-261 % similar Phenylpiperazine92-54-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tryptamine hydrochloride343-94-2 1-(4-Chlorophenyl)piperazine38212-33-8 1-(2-Chlorophenyl)piperazine39512-50-0 Tolazoline hydrochloride59-97-2 Chlordimeform6164-98-3

Elsewhere

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