Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2cccnc2)CC1- InChIKey
WDADFKLFMNCEIN-UHFFFAOYSA-N- Molecular formula
- C24H28BrF3N2O3
- Average molar mass
- 529.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-((3-bromo-5-(trifluoromethyl)benzyloxy)methyl)-4-(pyridin-3-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-4-pyridin-3-ylpiperidine-1-carboxylate
Names & synonyms
tert-Butyl 4-((3-bromo-5-(trifluoromethyl)benzyloxy)methyl)-4-(pyridin-3-yl)piperidine-1-carboxylateSCHEMBL3595301
Database identifiers
- PubChem CID
- 58993579
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 648
Related reactions
1 records
Compound notes
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