chempirical

1-(4-Chlorobenzyl)piperazine

C11H15ClN2CAS 23145-88-2210.70 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 42 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
23145-88-2
SMILES
C1CN(CCN1)CC2=CC=C(C=C2)Cl
InChIKey
GSJXJZOWHSTWOX-UHFFFAOYSA-N
InChI
InChI=1S/C11H15ClN2/c12-11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13H,5-9H2

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Names and synonyms

1 names
  • 4-Chlorobenzylpiperazine

Work with 1-(4-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-Benzylpiperazine2759-17-362 % similar 1-Benzylpiperazine2759-28-662 % similar Plerixafor110078-46-161 % similar 1-(4-Fluorobenzyl)piperazine70931-28-161 % similar 1-((Pyridin-4-yl)methyl)piperazine62089-74-158 % similar 1-(2,4-Dichlorobenzyl)piperazine51619-56-857 % similar 1-(4-Chlorophenyl)piperazine38212-33-857 % similar 4-Benzylpiperazine hydrochloride110475-31-556 % 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-(3-Chlorobenzyl)piperazine23145-91-7 5-Methyltryptamine hydrochloride55795-89-6 1-(5-Chloro-2-methylphenyl)piperazine76835-20-6

Elsewhere

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