Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CCN(c2cc(F)c(C#N)c(F)c2)CC1- InChIKey
SWSGLHVHDBTTFQ-UHFFFAOYSA-N- Molecular formula
- C17H21F2N3O2
- Average molar mass
- 337.36 g/mol
Names & identifiers
- Preferred name
- [1-(4-Cyano-3,5-difluoro-phenyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[1-(4-cyano-3,5-difluorophenyl)piperidin-4-yl]carbamate
Names & synonyms
SCHEMBL5115646SWSGLHVHDBTTFQ-UHFFFAOYSA-Ntert-butyl 1-(4-cyano-3,5-difluorophenyl)piperidin-4-ylcarbamate[1-(4-cyano-3,5-difluoro-phenyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 21090459
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
4 records
Compound notes
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