Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(O)(CC(CO)OCc2ccccc2)CC1- InChIKey
LYPLQSHCXKOYBU-UHFFFAOYSA-N- Molecular formula
- C20H31NO5
- Average molar mass
- 365.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-[2-(benzyloxy)-3-hydroxypropyl]-4-hydroxy-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-hydroxy-4-(3-hydroxy-2-phenylmethoxypropyl)piperidine-1-carboxylate
Names & synonyms
SCHEMBL6777169LYPLQSHCXKOYBU-UHFFFAOYSA-Ntert-butyl 4-[2-(benzyloxy)-3-hydroxypropyl]-4-hydroxy-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 22744648
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Related reactions
6 records
Compound notes
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