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

C₁₃H₁₉Cl₃N₂CAS 52605-52-4309.66 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Tertiary amine

Properties

Molecular formula: C₁₃H₁₉Cl₃N₂
Molar mass: 309.66 g/mol
Exact mass: 308.0614 Da
logP: 3.51Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Identifiers

CAS number

52605-52-4

SMILES

Cl.ClCCCN1CCN(c2cccc(Cl)c2)CC1

InChIKey

JVLRNANYLVRULL-UHFFFAOYSA-N

InChI

InChI=1S/C13H18Cl2N2.ClH/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;1H

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

Names and synonyms

2 names

Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, hydrochloride (1:1)
Piperazine, 1-(3-chlorophenyl)-4-(3-chloropropyl)-, monohydrochloride

Work with 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)

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)piperazine39577-43-091 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-456 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-756 % similar Piperazine, 1-(3-chlorophenyl)-, hydrochloride (1:?)65369-76-856 % similar 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride193611-72-251 % similar Trazodone hydrochloride25332-39-250 % similar 1-(3-Chlorophenyl)piperazine6640-24-049 % similar 2,2′-[(3-Chlorophenyl)imino]bis[ethanol]92-00-249 % similar

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

Elsewhere

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