Basic information
- CAS
1016844-24-8- Standard SMILES
CCOc1ccc(N2CCC(=O)CC2)cc1OCC- InChIKey
ZGSMQCKIZDMZED-UHFFFAOYSA-N- Molecular formula
- C15H21NO3
- Average molar mass
- 263.33 g/mol
- Monoisotopic mass
- 263.15214353
Names & identifiers
- Preferred name
- 1-(3,4-Diethoxyphenyl)piperidin-4-one
- IUPAC
- 1-(3,4-diethoxyphenyl)piperidin-4-one
- English name
- 1-(3,4-diethoxyphenyl)piperidin-4-one
- Molecular formula
- C15H21NO3
- Molecular weight
- 263.33
Names & synonyms
AKOS0001904061-(3,4-diethoxyphenyl)piperidin-4-one4-Piperidinone, 1-(3,4-diethoxyphenyl)-
Database identifiers
- CAS
1016844-24-8- PubChem CID
- 24706213
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 285
Physicochemical properties
- Boiling point
- 430.2 · 430.2±45.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 5.62 · 5.62±0.40(Predicted)
Chemistry & industry
Suppliers1 total
郑州药领医药科技有限公司13526569071 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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