Basic information
- Standard SMILES
C=C(CC1(C)CN(C)CCC1=O)c1ccc(F)cc1- InChIKey
IJZXORFFHXFNRQ-UHFFFAOYSA-N- Molecular formula
- C16H20FNO
- Average molar mass
- 261.33 g/mol
- Monoisotopic mass
- 261.15289242
Names & identifiers
- Preferred name
- 3-[2-(4-Fluoro-phenyl)-allyl]-1,3-dimethyl-piperidin-4-one
- IUPAC
- 3-[2-(4-fluorophenyl)prop-2-enyl]-1,3-dimethylpiperidin-4-one
Names & synonyms
SCHEMBL2302368IJZXORFFHXFNRQ-UHFFFAOYSA-N3-[2-(4-fluoro-phenyl)-allyl]-1,3-dimethyl-piperidin-4-one
Database identifiers
- PubChem CID
- 67355960
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
3 records
Compound notes
Loading…