Basic information
- CAS
73962-24-0- Standard SMILES
COc1cccc(C2(CO)CCN(CCCC(=O)c3ccc(F)cc3)CC2)c1O- InChIKey
WSAVYWWDJVSSAB-UHFFFAOYSA-N- Molecular formula
- C23H28FNO4
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.20023654
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(4-(2-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)piperidino)-
- IUPAC
- 1-(4-fluorophenyl)-4-[4-(2-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)piperidin-1-yl]butan-1-one
Names & synonyms
BRN 5642341Butyrophenone, 4'-fluoro-4-(4-(2-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)piperidino)-73962-24-0DTXSID802247024'-Fluoro-4-(4-(2-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)piperidino)butyrophenoneRefChem:331413DTXCID701471931-(4-fluorophenyl)-4-[4-(2-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)piperidin-1-yl]butan-1-one
Database identifiers
- CAS
73962-24-0- PubChem CID
- 52829
- DTXSID
DTXSID80224702- Nikkaji
- J67.457E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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