Basic information
- CAS
51037-58-2- Standard SMILES
O=C(c1ccc(F)cc1)C(O)CCN1CCN(c2ccccn2)CC1- InChIKey
NZZWBFNPUPCSLD-UHFFFAOYSA-N- Molecular formula
- C19H22FN3O2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.16960512
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)-
- IUPAC
- 1-(4-fluorophenyl)-2-hydroxy-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
Names & synonyms
BRN 08463704'-Fluoro-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)butyrophenone51037-58-25-23-03-00042 (Beilstein Handbook Reference)1-(4-Fluorophenyl)-2-hydroxy-4-(4-(2-pyridyl)-1-piperazinyl)-1-butanoneBUTYROPHENONE, 4'-FLUORO-2-HYDROXY-4-(4-(2-PYRIDYL)-1-PIPERAZINYL)-RefChem:331396SCHEMBL11829798DTXSID009653221-(4-Fluorophenyl)-2-hydroxy-4-[4-(pyridin-2-yl)piperazin-1-yl]butan-1-one
Database identifiers
- CAS
51037-58-2- PubChem CID
- 39884
- DTXSID
DTXSID00965322- Nikkaji
- J67.463J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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