1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride

C₁₃H₁₉Cl₃N₂CAS 57059-62-8309.66 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

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

57059-62-8

SMILES

C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl.Cl

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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Names and synonyms

1 names

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

Work with 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine39577-43-0Free base 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine hydrochloride (1:1)52605-52-4

Similar compounds

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-(2-Methoxyphenyl)-4-(3-chloropropyl)piperazine dihydrochloride21279-77-649 % 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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