Basic information
- CAS
34435-50-2- Standard SMILES
CC(=O)C1(c2cccc(O)c2)CCN(CCCC(=O)c2ccc(F)cc2)CC1- InChIKey
OYNHETROIZLKBD-UHFFFAOYSA-N- Molecular formula
- C23H26FNO3
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.18967185
Names & identifiers
- Preferred name
- 1-Butanone, 4-(4-acetyl-4-(3-hydroxyphenyl)-1-piperdinyl)-1-(4-fluorophenyl)-
- IUPAC
- 4-[4-acetyl-4-(3-hydroxyphenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Names & synonyms
MR 56034435-50-2Butyrophenone, 4-(4-acetyl-4-(m-hydroxyphenyl)piperidino)-4'-fluoro-1-Butanone, 4-(4-acetyl-4-(3-hydroxyphenyl)-1-piperdinyl)-1-(4-fluorophenyl)-DTXSID301880074-(4-Acetyl-4-(3-hydroxyphenyl)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone1-(4'-Oxo-4-(p-fluorophenyl)-n-butyl-1')-4-acetyl-4-(m-hydroxyphenyl)-piperidineRefChem:228936DTXCID201104984-[4-acetyl-4-(3-hydroxyphenyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Database identifiers
- CAS
34435-50-2- PubChem CID
- 214844
- DTXSID
DTXSID30188007
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…