1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine

C₁₃H₁₈Cl₂N₂CAS 39577-43-0273.20 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Tertiary amine

Properties

Molecular formula: C₁₃H₁₈Cl₂N₂
Molar mass: 273.20 g/mol
Exact mass: 272.0847 Da
Boiling point: 157–162 °C (at 0.5 Torr)
logP: 3.09Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

39577-43-0

SMILES

ClCCCN1CCN(c2cccc(Cl)c2)CC1

InChIKey

NDQKGEFMUGSRNS-UHFFFAOYSA-N

InChI

InChI=1S/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2

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

Names and synonyms

6 names

Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-
Piperazine, 1-(m-chlorophenyl)-4-(3-chloropropyl)-
3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl chloride
NSC 520934
1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-chloropropane
1-(3-Chloropropyl)-4-(3-chlorophenyl)piperazine

Work with 1-(3-Chlorophenyl)-4-(3-chloropropyl)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-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)52605-52-491 % similar 1-(3-Chlorophenyl)piperazine6640-24-053 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-253 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-449 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-749 % similar Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)65369-76-849 % similar Trazodone19794-93-547 % similar 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride193611-72-245 % similar

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

Elsewhere

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