Basic information
- Standard SMILES
Cc1ccc(O[C@H]2CCN(C(=O)OCc3ccccc3)C[C@H]2O)cc1C- InChIKey
DAKQXNOIWRRHIC-UXHICEINSA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.17835828
Names & identifiers
- Preferred name
- cis-3-Hydroxy-4-(3,4-dimethylphenoxy)-1-carbobenzyloxy-piperidine
- IUPAC
- benzyl (3R,4S)-4-(3,4-dimethylphenoxy)-3-hydroxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL11238711DAKQXNOIWRRHIC-UXHICEINSA-Ncis-3-hydroxy-4-(3,4-dimethylphenoxy)-1-carbobenzyloxy-piperidine
Database identifiers
- PubChem CID
- 70544723
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
3 records
Compound notes
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