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

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin25% of notifiers
H317 May cause an allergic skin reaction25% of notifiers
H332 Harmful if inhaled25% of notifiers
H341 Suspected of causing genetic defects25% of notifiers
H360 May damage fertility or the unborn child25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P333+P317, P362+P364, P405, P501

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

Weigh it out

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

Names and synonyms

7 names

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

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)piperazinium chloride52605-52-4Salt 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride57059-62-8Salt

Similar compounds

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 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-849 % similar Trazodone19794-93-547 % similar 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride193611-72-245 % similar Trazodone hydrochloride25332-39-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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