Basic information
- CAS
89680-94-4- Standard SMILES
COc1ccc(CCN2CC(C(C)=O)CCC2=O)cc1OC- InChIKey
DXROKUAXQABQBN-UHFFFAOYSA-N- Molecular formula
- C17H23NO4
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.16270821
Names & identifiers
- Preferred name
- 5-Acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
- IUPAC
- 5-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
Names & synonyms
89680-94-4DTXSID104952065-Acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-2-one
Database identifiers
- CAS
89680-94-4- PubChem CID
- 12377645
- DTXSID
DTXSID10495206
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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