trans-1-[Bis(4-methoxyphenyl)methyl]-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylic acid
Basic information
- Standard SMILES
COc1ccc(C(c2ccc(OC)cc2)N2C[C@@H](C(=O)O)[C@H](c3cc(F)c(F)cc3F)CC2=O)cc1- InChIKey
ORIQROFMPNHISL-PZJWPPBQSA-N- Molecular formula
- C27H24F3NO5
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 499.16065735
Names & identifiers
- Preferred name
- trans-1-[Bis(4-methoxyphenyl)methyl]-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylic acid
- IUPAC
- (3S,4R)-1-[bis(4-methoxyphenyl)methyl]-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylic acid
Names & synonyms
SCHEMBL1887947ORIQROFMPNHISL-PZJWPPBQSA-Ntrans-1-[bis(4-methoxyphenyl)methyl]-6-oxo-4-(2,4,5-trifluorophenyl)piperidine-3-carboxylic acid
Database identifiers
- PubChem CID
- 67201019
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 732
Related reactions
4 records
Compound notes
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