Basic information
- Standard SMILES
CO[C@@](C(=O)O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Cc1ccc(C)cc1)(c1ccccc1)C(F)(F)F- InChIKey
RCIMCPLIUUTZRR-ONDZYYNLSA-N- Molecular formula
- C30H32F3NO3
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- (R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid (cis)-1-benzyl-4-(4-methyl-benzyl)-piperidin-3-yl ester
- IUPAC
- [(3S,4S)-1-benzyl-4-[(4-methylphenyl)methyl]piperidin-3-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Names & synonyms
(R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid (cis)-1-benzyl-4-(4-methyl-benzyl)-piperidin-3-yl ester
Database identifiers
- PubChem CID
- 59972010
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 711
Related reactions
2 records
Compound notes
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