Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])cc1COCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1- InChIKey
BHPWYBMXVJLQQD-UHFFFAOYSA-N- Molecular formula
- C25H32N2O6
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.22603674
Names & identifiers
- Preferred name
- tert-Butyl 4-((2-methoxy-5-nitrobenzyloxy)methyl)-4-phenylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[(2-methoxy-5-nitrophenyl)methoxymethyl]-4-phenylpiperidine-1-carboxylate
Names & synonyms
SCHEMBL13404384BHPWYBMXVJLQQD-UHFFFAOYSA-Ntert-Butyl 4-((2-methoxy-5-nitrobenzyloxy)methyl)-4-phenylpiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58993459
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 644
Related reactions
4 records
Compound notes
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