1-(2-Chloro-benzoyl)-piperazine

C₁₁H₁₃ClN₂OCAS 13754-45-5224.69 g/mol

Open in Covalent MOL file

Amide Aryl halide Secondary amine

Properties

Molecular formula: C₁₁H₁₃ClN₂O
Molar mass: 224.69 g/mol
Exact mass: 224.0716 Da
logP: 1.39Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled96.6% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 29 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

13754-45-5

SMILES

C1CN(CCN1)C(=O)C2=CC=CC=C2Cl

InChIKey

UKXGHBPPSTVPJO-UHFFFAOYSA-N

InChI

InChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11(15)14-7-5-13-6-8-14/h1-4,13H,5-8H2

Weigh it out

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Work with 1-(2-Chloro-benzoyl)-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-Benzoylpiperazine13754-38-658 % similar Benzoylpiperazine hydrochloride56227-55-554 % similar 1-(2-Furoyl)piperazine40172-95-053 % similar 1-(2-Furanylcarbonyl)piperazine hydrochloride60548-09-649 % similar 1-(2-Chlorophenyl)piperazine39512-50-047 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-546 % similar 1-((2-Chlorophenyl)methyl)piperazine17532-19-345 % similar Benzyl piperazine-1-carboxylate31166-44-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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