Basic information
- Standard SMILES
C=CCCC(=O)C1CCN(c2ccc(Cl)cn2)CC1- InChIKey
BSJSYVXJKMWSML-UHFFFAOYSA-N- Molecular formula
- C15H19ClN2O
- Average molar mass
- 278.78 g/mol
- Monoisotopic mass
- 278.1185909
Names & identifiers
- Preferred name
- 1-(5'-chloro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-pent-4-en-1-one
- IUPAC
- 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]pent-4-en-1-one
Names & synonyms
SCHEMBL895528BSJSYVXJKMWSML-UHFFFAOYSA-N1-(5'-chloro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-pent-4-en-1-one
Database identifiers
- PubChem CID
- 66833495
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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