Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(o-methoxyphenyl)-1-piperazinyl)-

HCID 39883

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Basic information

CAS: 51037-51-5
Standard SMILES: COc1ccccc1N1CCN(CCC(O)C(=O)c2ccc(F)cc2)CC1
InChIKey: UGOGBOUDQQAIQM-UHFFFAOYSA-N
Molecular formula: C21H25FN2O3
Average molar mass: 372.4 g/mol
Monoisotopic mass: 372.18492083

Names & identifiers

Preferred name: Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(o-methoxyphenyl)-1-piperazinyl)-
IUPAC: 1-(4-fluorophenyl)-2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one

Names & synonyms

51037-51-5BRN 08545274'-Fluoro-2-hydroxy-4-(4-(o-methoxyphenyl)-1-piperazinyl)butyrophenone1-(4-Fluorophenyl)-2-hydroxy-4-(4-(2-methoxyphenyl)-1-piperazinyl)-1-butanoneBUTYROPHENONE, 4'-FLUORO-2-HYDROXY-4-(4-(o-METHOXYPHENYL)-1-PIPERAZINYL)-1-(4-Fluorophenyl)-2-hydroxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-1-butanoneRefChem:3313971-(4-fluorophenyl)-2-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-oneSCHEMBL11473093DTXSID70965319UGOGBOUDQQAIQM-UHFFFAOYSA-N1-p-fluorobenzoyl-1-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propane

Database identifiers

CAS: 51037-51-5
PubChem CID: 39883
DTXSID: DTXSID70965319
Nikkaji: J67.458C

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 53 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 462

Related reactions

1 records

New reaction record

HRID 225123As reactantuspto-grants-1980_11

Compound notes

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