Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(OCCn3cncn3)cc2)C(OCc2ccc3ccccc3c2)C1- InChIKey
CXIXXFHDAIGNIF-UHFFFAOYSA-N- Molecular formula
- C31H36N4O4
- Average molar mass
- 528.6 g/mol
- Monoisotopic mass
- 528.27365564
Names & identifiers
- Preferred name
- Tert-butyl (3rs,4rs)-3-naphthalen-2-ylmethoxy-4-[4-(2-[1,2,4]triazol-1-yl-ethoxy)-phenyl]-piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]piperidine-1-carboxylate
Names & synonyms
CXIXXFHDAIGNIF-UHFFFAOYSA-Ntert-butyl (3rs,4rs)-3-naphthalen-2-ylmethoxy-4-[4-(2-[1,2,4]triazol-1-yl-ethoxy)-phenyl]-piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 53745200
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 768
Related reactions
3 records
Compound notes
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