Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)C(OCc2ccccc2C#N)C1- InChIKey
HCYNVHNAGVVVAG-UHFFFAOYSA-N- Molecular formula
- C24H27FN2O3
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.20057089
Names & identifiers
- Preferred name
- tert-butyl (3RS,4RS)-3-(2-cyano-benzyloxy)-4-(4-fluoro-phenyl)-piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[(2-cyanophenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
Names & synonyms
HCYNVHNAGVVVAG-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-3-(2-cyano-benzyloxy)-4-(4-fluoro-phenyl)-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86604452
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Related reactions
3 records
Compound notes
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