Basic information
- Standard SMILES
CCCCC1CCN(CCCC(=O)c2cccc(C)c2C)CC1- InChIKey
RFXPEERJJDOKGJ-UHFFFAOYSA-N- Molecular formula
- C21H33NO
- Average molar mass
- 315.5 g/mol
- Monoisotopic mass
- 315.25621468
Names & identifiers
- Preferred name
- 4-n-Butyl-1-[4-(2,3-dimethylphenyl)-4-oxo-1-butyl]piperidine
- IUPAC
- 4-(4-butylpiperidin-1-yl)-1-(2,3-dimethylphenyl)butan-1-one
Names & synonyms
SCHEMBL4499158RFXPEERJJDOKGJ-UHFFFAOYSA-NL0192124-n-Butyl-1-[4-(2,3-dimethylphenyl)-4-oxo-1-butyl]piperidine
Database identifiers
- PubChem CID
- 9861692
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 346
Related reactions
3 records
Compound notes
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