Basic information
- CAS
142808-60-4- Standard SMILES
CN1CC(=Cc2ccncc2)C(=O)C(=Cc2ccncc2)C1- InChIKey
PFSHGYYOLVTIGM-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Names & identifiers
- Preferred name
- 4-Piperidinone, 1-methyl-3,5-bis(4-pyridinylmethylene)-
- IUPAC
- 1-methyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-4-one
Names & synonyms
4-Piperidinone, 1-methyl-3,5-bis(4-pyridinylmethylene)-142808-60-41-methyl-3,5-bis[(pyridin-4-yl)methylidene]piperidin-4-oneDTXSID50327951AKOS034380016
Database identifiers
- CAS
142808-60-4- PubChem CID
- 397792
- DTXSID
DTXSID50327951
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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