1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-

HCID 415406

Notes Reactions

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Basic information

CAS: 115091-01-5
Standard SMILES: O=C(CCN1CCNCC1)c1ccc(Cl)cc1
InChIKey: KMWWJKAQUKOBAS-UHFFFAOYSA-N
Molecular formula: C13H17ClN2O
Average molar mass: 252.74 g/mol
Monoisotopic mass: 252.1029409

Names & identifiers

Preferred name: 1-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-
IUPAC: 1-(4-chlorophenyl)-3-piperazin-1-ylpropan-1-one

Names & synonyms

115091-01-51-Propanone, 1-(4-chlorophenyl)-3-(1-piperazinyl)-SCHEMBL7094214DTXSID40328932KMWWJKAQUKOBAS-UHFFFAOYSA-N4'-Chloro-3-(piperazin-1-yl)propiophenone1-(4-CHLOROPHENYL)-3-(PIPERAZIN-1-YL)PROPAN-1-ONE

Database identifiers

CAS: 115091-01-5
PubChem CID: 415406
DTXSID: DTXSID40328932

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 246

Related reactions

2 records

New reaction record

HRID 1977127As productuspto-grants-2001_05

HRID 2132338As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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