1-(3,5-Dichlorophenyl)piperazine

C₁₀H₁₂Cl₂N₂CAS 55827-50-4231.12 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₂Cl₂N₂
Molar mass: 231.12 g/mol
Exact mass: 230.0378 Da
logP: 2.40Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55827-50-4

SMILES

Clc1cc(Cl)cc(N2CCNCC2)c1

InChIKey

LISGMSBYRAXPJH-UHFFFAOYSA-N

InChI

InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2

Weigh it out

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

Names and synonyms

2 names

Piperazine, 1-(3,5-dichlorophenyl)-
4-(3,5-Dichlorophenyl)piperazine

Work with 1-(3,5-Dichlorophenyl)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)piperazine6640-24-068 % similar 1-(4-Chlorophenyl)piperazine38212-33-863 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-461 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-761 % similar 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-861 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-157 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-457 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)piperazine16172-96-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorophenylpiperazine41202-77-1 1-(3,4-Dichlorophenyl)piperazine57260-67-0 5-Chlorotryptamine hydrochloride942-26-7

Elsewhere

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