chempirical

1-(3-Chlorobenzyl)piperazine

C11H15ClN2CAS 23145-91-7210.70 g/mol

Open in Covalent MOL file
NHNCl
Aryl halideSecondary amineTertiary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
23145-91-7
SMILES
C1CN(CCN1)CC2=CC(=CC=C2)Cl
InChIKey
JTEQMTYOCBFLNH-UHFFFAOYSA-N
InChI
InChI=1S/C11H15ClN2/c12-11-3-1-2-10(8-11)9-14-6-4-13-5-7-14/h1-3,8,13H,4-7,9H2

Weigh it out

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

Work with 1-(3-Chlorobenzyl)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-(3-Fluorobenzyl)piperazine55513-19-465 % similar 1-(3-Methylbenzyl)piperazine5321-48-263 % similar 1-Benzylpiperazine2759-17-361 % similar 1-Benzylpiperazine2759-28-661 % similar 1-(2,4-Dichlorobenzyl)piperazine51619-56-857 % similar 1-(2,6-Dichlorobenzyl)piperazine102292-50-256 % similar 4-Benzylpiperazine hydrochloride110475-31-556 % similar 1-Benzyl-1,4-diazepane4410-12-256 % similar

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

Same formula

5-Methyltryptamine hydrochloride1010-95-3 1-((2-Chlorophenyl)methyl)piperazine17532-19-3 1-(4-Chlorobenzyl)piperazine23145-88-2 5-Methyltryptamine hydrochloride55795-89-6 1-(5-Chloro-2-methylphenyl)piperazine76835-20-6

Elsewhere

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