tert-butyl (3R*,4R*)-4-({[3,5-bis(trifluoromethyl)phenyl]carbonyl}amino)-3-(3,4-dichlorophenyl)piperidine-1-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(Cl)c(Cl)c2)C1- InChIKey
LNHDALVAMNZXEU-FXAWDEMLSA-N- Molecular formula
- C25H24Cl2F6N2O3
- Average molar mass
- 585.4 g/mol
- Monoisotopic mass
- 584.106817
Names & identifiers
- Preferred name
- tert-butyl (3R*,4R*)-4-({[3,5-bis(trifluoromethyl)phenyl]carbonyl}amino)-3-(3,4-dichlorophenyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4R)-4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-(3,4-dichlorophenyl)piperidine-1-carboxylate
Names & synonyms
tert-butyl (3R*,4R*)-4-({[3,5-bis(trifluoromethyl)phenyl]carbonyl}amino)-3-(3,4-dichlorophenyl)piperidine-1-carboxylateSCHEMBL13801311
Database identifiers
- PubChem CID
- 57741647
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 828
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Related reactions
1 records
Compound notes
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