Basic information
- CAS
73962-23-9- Standard SMILES
O=C(CCCN1CCC(CO)(c2ccccc2O)CC1)c1ccc(F)cc1- InChIKey
OQURXKKBHHACJI-UHFFFAOYSA-N- Molecular formula
- C22H26FNO3
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.18967185
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(4-(o-hydroxyphenyl)-4-hydroxymethylpiperidino)-
- IUPAC
- 1-(4-fluorophenyl)-4-[4-(hydroxymethyl)-4-(2-hydroxyphenyl)piperidin-1-yl]butan-1-one
Names & synonyms
BRN 5629886BUTYROPHENONE, 4'-FLUORO-4-(4-(o-HYDROXYPHENYL)-4-HYDROXYMETHYLPIPERIDINO)-73962-23-9DTXSID202247014'-Fluoro-4-(4-(o-hydroxyphenyl)-4-hydroxymethylpiperidino)butyrophenoneRefChem:331417DTXCID101471921-(4-fluorophenyl)-4-[4-(hydroxymethyl)-4-(2-hydroxyphenyl)piperidin-1-yl]butan-1-one
Database identifiers
- CAS
73962-23-9- PubChem CID
- 52828
- DTXSID
DTXSID20224701- Nikkaji
- J67.460E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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