Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(OCc2ccc3ccccc3c2Br)CC1- InChIKey
NMJKTVHUHZTUDO-UHFFFAOYSA-N- Molecular formula
- C21H26BrNO3
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 419.10961
Names & identifiers
- Preferred name
- 4-[(1-Bromo-2-naphthalenyl) methoxy]-N-[tert-butoxycarbonyl]piperidine
- IUPAC
- tert-butyl 4-[(1-bromonaphthalen-2-yl)methoxy]piperidine-1-carboxylate
Names & synonyms
NMJKTVHUHZTUDO-UHFFFAOYSA-N4-[(1-Bromo-2-naphthalenyl) methoxy]-N-[tert-butoxycarbonyl]piperidine
Database identifiers
- PubChem CID
- 86754160
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 470
Related reactions
3 records
Compound notes
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