Basic information
- CAS
5336-91-4- Standard SMILES
CC1CCN(C(CC(=O)c2ccccc2)C(=O)c2ccccc2)CC1- InChIKey
NPQYEFLERKBEHZ-UHFFFAOYSA-N- Molecular formula
- C22H25NO2
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.18852904
Names & identifiers
- Preferred name
- 2-(4-Methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione
- IUPAC
- 2-(4-methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione
Names & synonyms
2-(4-methylpiperidin-1-yl)-1,4-diphenylbutane-1,4-dione5336-91-4MLS002637512NSC387HMS3078G07CHEMBL1719096DTXSID40277017NSC-387SMR0015470502-(4-METHYLPIPERIDINO)-1,4-BUTANEDIONE2-(4-METHYLPIPERIDINO)-1,4-DIPHENYL-1,4-BUTANEDIONE
Database identifiers
- CAS
5336-91-4- PubChem CID
- 219296
- DTXSID
DTXSID40277017- ChEMBL
CHEMBL1719096
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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