chempirical

1-(2-Chloro-benzoyl)-piperazine

C11H13ClN2OCAS 13754-45-5224.69 g/mol

Open in Covalent MOL file
NHNOCl
AmideAryl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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

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

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

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 N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-844 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-843 % similar 2′-Chloroacetophenone2142-68-942 % similar

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

Elsewhere

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