Basic information
- Standard SMILES
CCc1ccc(CCNC(=O)C2(Cc3ccccc3F)CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
RUFUDPAJGXLCRB-UHFFFAOYSA-N- Molecular formula
- C28H37FN2O3
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.27882121
Names & identifiers
- Preferred name
- 4-[2-(4-Ethyl-phenyl)-ethylcarbamoyl]-4-(2-fluoro-benzyl)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-(4-ethylphenyl)ethylcarbamoyl]-4-[(2-fluorophenyl)methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2473702RUFUDPAJGXLCRB-UHFFFAOYSA-N4-[2-(4-ethyl-phenyl)-ethylcarbamoyl]-4-(2-fluoro-benzyl)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 23601076
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 661
Related reactions
6 records
Compound notes
Loading…