Basic information
- Standard SMILES
CCN1CCCC(Oc2ccc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)cc2)C1- InChIKey
CJBKGGZLAZPMII-UHFFFAOYSA-N- Molecular formula
- C26H25ClN2O
- Average molar mass
- 416.9 g/mol
Names & identifiers
- Preferred name
- 5-(4-Chloro-phenyl)-2-[4-(1-ethyl-piperidin-3-yloxy)-phenylethynyl]-pyridine
- IUPAC
- 5-(4-chlorophenyl)-2-[2-[4-(1-ethylpiperidin-3-yl)oxyphenyl]ethynyl]pyridine
Names & synonyms
SCHEMBL2324865CJBKGGZLAZPMII-UHFFFAOYSA-N5-(4-chloro-phenyl)-2-[4-(1-ethyl-piperidin-3-yloxy)-phenylethynyl]-pyridine
Database identifiers
- PubChem CID
- 10364628
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 582
Related reactions
1 records
Compound notes
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