Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)cc2)C(O)C1- InChIKey
QNLPASOPSIEBOQ-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3
- Average molar mass
- 302.37 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3RS,4RS)-4-(4-cyano-phenyl)-3-hydroxy-piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-(4-cyanophenyl)-3-hydroxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL18930514QNLPASOPSIEBOQ-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-4-(4-cyano-phenyl)-3-hydroxy-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 54237291
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
8 records
Compound notes
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