1-(2,6-Dichlorobenzyl)piperazine

C₁₁H₁₄Cl₂N₂CAS 102292-50-2245.15 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₄Cl₂N₂
Molar mass: 245.15 g/mol
Exact mass: 244.0534 Da
logP: 2.40Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

102292-50-2

SMILES

C1CN(CCN1)CC2=C(C=CC=C2Cl)Cl

InChIKey

WQTPGHSKQDVCQQ-UHFFFAOYSA-N

InChI

InChI=1S/C11H14Cl2N2/c12-10-2-1-3-11(13)9(10)8-15-6-4-14-5-7-15/h1-3,14H,4-8H2

Weigh it out

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

Work with 1-(2,6-Dichlorobenzyl)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-Chloro-6-fluorophenyl)methyl)piperazine215655-20-275 % similar 1-((2-Chlorophenyl)methyl)piperazine17532-19-368 % similar 1-(3-Chlorobenzyl)piperazine23145-91-756 % similar 1-Benzylpiperazine2759-17-352 % similar 1-Benzylpiperazine2759-28-652 % similar 1-(4-Chlorobenzyl)piperazine23145-88-252 % similar 1-(2-Chlorophenyl)piperazine39512-50-052 % similar 1-(3-Fluorobenzyl)piperazine55513-19-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2,4-Dichlorobenzyl)piperazine51619-56-8

Elsewhere

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