1-((2-Chlorophenyl)methyl)piperazine

C₁₁H₁₅ClN₂CAS 17532-19-3210.70 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₅ClN₂
Molar mass: 210.70 g/mol
Exact mass: 210.0924 Da
logP: 1.75Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

17532-19-3

SMILES

C1CN(CCN1)CC2=CC=CC=C2Cl

InChIKey

JOWPEBYCPPLVNX-UHFFFAOYSA-N

InChI

InChI=1S/C11H15ClN2/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2

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Names and synonyms

1 names

1-(2-Chlorobenzyl)piperazine

Work with 1-((2-Chlorophenyl)methyl)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

Similar compounds

1-(2,6-Dichlorobenzyl)piperazine102292-50-268 % similar 1-(2,4-Dichlorobenzyl)piperazine51619-56-868 % similar 1-(1-Naphthylmethyl)piperazine40675-81-862 % similar 1-(2-Fluorobenzyl)piperazine89292-78-459 % similar 1-((2-Chloro-6-fluorophenyl)methyl)piperazine215655-20-257 % similar 1-Benzylpiperazine2759-17-353 % similar 1-Benzylpiperazine2759-28-653 % similar 1-(2-Chlorophenyl)piperazine39512-50-053 % similar

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

Same formula

5-Methyltryptamine hydrochloride1010-95-3 1-(4-Chlorobenzyl)piperazine23145-88-2 1-(3-Chlorobenzyl)piperazine23145-91-7 5-Methyltryptamine hydrochloride55795-89-6 1-(5-Chloro-2-methylphenyl)piperazine76835-20-6

Elsewhere

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