Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccccc2)CC1- InChIKey
PYVZKAUQYXHXOP-UHFFFAOYSA-N- Molecular formula
- C25H29BrF3NO3
- Average molar mass
- 528.4 g/mol
- Monoisotopic mass
- 527.12829
Names & identifiers
- Preferred name
- tert-Butyl 4-((3-bromo-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[3-bromo-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylate
Names & synonyms
tert-Butyl 4-((3-bromo-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylateSCHEMBL3594793
Database identifiers
- PubChem CID
- 58993603
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 638
Related reactions
3 records
Compound notes
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