Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(CO)cc2)C(OCc2ccc3ccccc3c2)C1- InChIKey
BSUOHACWZPMFEW-UHFFFAOYSA-N- Molecular formula
- C28H33NO4
- Average molar mass
- 447.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3RS,4RS)-4-(4-hydroxymethyl-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-(hydroxymethyl)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
Names & synonyms
BSUOHACWZPMFEW-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-4-(4-hydroxymethyl-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine--carboxylatetert-butyl (3RS,4RS)-4-(4-hydroxymethyl-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 53699338
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 624
Related reactions
18 records
Compound notes
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