tert-butyl (3RS,4RS)-4-[4-(2,2-dimethyl-propionyloxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(COC(=O)C(C)(C)C)cc2)C(OCc2ccc3ccccc3c2)C1- InChIKey
NWRZRTLAVOUAOI-UHFFFAOYSA-N- Molecular formula
- C33H41NO5
- Average molar mass
- 531.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3RS,4RS)-4-[4-(2,2-dimethyl-propionyloxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-(2,2-dimethylpropanoyloxymethyl)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
Names & synonyms
NWRZRTLAVOUAOI-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-4-[4-(2,2-dimethyl-propionyloxymethyl)-phenyl]-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86604397
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 806
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Related reactions
3 records
Compound notes
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