Basic information
- Standard SMILES
CCOc1ccccc1-c1cncc(N2CC3CC4CC2CN(C4)C3)c1- InChIKey
KBGSTNFZVBVGQO-UHFFFAOYSA-N- Molecular formula
- C22H27N3O
- Average molar mass
- 349.5 g/mol
Names & identifiers
- Preferred name
- 4-[5-(2-Ethoxyphenyl)pyridin-3-yl]-1,4-diazatricyclo[4.3.1.13,8]undecane
- IUPAC
- 4-[5-(2-ethoxyphenyl)-3-pyridinyl]-1,4-diazatricyclo[4.3.1.13,8]undecane
Names & synonyms
KBGSTNFZVBVGQO-UHFFFAOYSA-N4-[5-(2-ethoxyphenyl)pyridin-3-yl]-1,4-diazatricyclo[4.3.1.13,8]undecane
Database identifiers
- PubChem CID
- 49869571
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
Related reactions
1 records
Compound notes
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