1-(2,4-Dichlorobenzyl)piperazine

C₁₁H₁₄Cl₂N₂CAS 51619-56-8245.15 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

51619-56-8

SMILES

C1CN(CCN1)CC2=C(C=C(C=C2)Cl)Cl

InChIKey

VYKXBWXIOSLDQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1-(2,4-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-Chlorophenyl)methyl)piperazine17532-19-368 % similar 1-(4-Chlorobenzyl)piperazine23145-88-257 % similar 1-(3-Chlorobenzyl)piperazine23145-91-757 % similar 2,4-Dichlorobenzyl chloride94-99-553 % similar 1-((2-Chloro-6-fluorophenyl)methyl)piperazine215655-20-249 % similar (2,4-Dichlorobenzyl)methylamine5013-77-447 % similar 2,4-Dichlorobenzyl alcohol1777-82-847 % similar 2,4-Dichlorobenzyl bromide20443-99-647 % similar

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

Same formula

1-(2,6-Dichlorobenzyl)piperazine102292-50-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook