Dimethyl 2-(4-(trifluoromethyl)phenyl)piperidine-1,4-dicarboxylate
Basic information
- Standard SMILES
COC(=O)C1CCN(C(=O)OC)C(c2ccc(C(F)(F)F)cc2)C1- InChIKey
CNCFMHZHBHUISH-UHFFFAOYSA-N- Molecular formula
- C16H18F3NO4
- Average molar mass
- 345.31 g/mol
- Monoisotopic mass
- 345.11879254
Names & identifiers
- Preferred name
- Dimethyl 2-(4-(trifluoromethyl)phenyl)piperidine-1,4-dicarboxylate
- IUPAC
- dimethyl 2-[4-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxylate
Names & synonyms
dimethyl 2-(4-(trifluoromethyl)phenyl)piperidine-1,4-dicarboxylateSCHEMBL586946
Database identifiers
- PubChem CID
- 66734728
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Related reactions
4 records
Compound notes
Loading…