Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(O)c2cccc(Cl)c2)C1- InChIKey
FTOUOFKPZPWGSF-KDOFPFPSSA-N- Molecular formula
- C18H26ClNO3
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1601214
Names & identifiers
- Preferred name
- (R)-tert-butyl 3-((R)-1-(3-chlorophenyl)-1-hydroxyethyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3R)-3-[(1R)-1-(3-chlorophenyl)-1-hydroxyethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3616231FTOUOFKPZPWGSF-KDOFPFPSSA-N(R)-tert-butyl 3-((R)-1-(3-chlorophenyl)-1-hydroxyethyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59201475
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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