Propiophenone, 3-(4-phenyl-1-piperazinyl)-

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Basic information

CAS: 26108-53-2
Standard SMILES: O=C(CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIKey: XLHRSIAQCNHEIG-UHFFFAOYSA-N
Molecular formula: C19H22N2O
Average molar mass: 294.4 g/mol
Monoisotopic mass: 294.17321333

Names & identifiers

Preferred name: Propiophenone, 3-(4-phenyl-1-piperazinyl)-
IUPAC: 1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-one

Names & synonyms

26108-53-2Propiophenone, 3-(4-phenyl-1-piperazinyl)-3-(4-Phenyl-1-piperazinyl)propiophenoneDTXSID10180741RefChem:375370DTXCID501032321-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-oneCHEMBL2158794SCHEMBL351997XLHRSIAQCNHEIG-UHFFFAOYSA-N3-(4-Phenylpiperazino)propiophenoneBDBM50393665

Show more names

EBC-08693AKOS0334646331-phenyl-4-(3-oxo-3-phenylpropyl)piperazineEN300-179890741-Phenyl-3-(4-phenyl-piperazin-1-yl)-propan-1-oneZ993668918

Database identifiers

CAS: 26108-53-2
PubChem CID: 213313
DTXSID: DTXSID10180741
ChEMBL: CHEMBL2158794
Nikkaji: J738.939F

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 337

Related reactions

2 records

New reaction record

HRID 1233447As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1367696As productuspto-grants-2011_02

Compound notes

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