2,6-Bis(4-methoxyphenyl)-3-(propan-2-yl)piperidin-4-one
Basic information
- CAS
5806-19-9- Standard SMILES
COc1ccc(C2CC(=O)C(C(C)C)C(c3ccc(OC)cc3)N2)cc1- InChIKey
CRBQJFMCNWBXIU-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.19909372
Names & identifiers
- Preferred name
- 2,6-Bis(4-methoxyphenyl)-3-(propan-2-yl)piperidin-4-one
- IUPAC
- 2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-one
Names & synonyms
5806-19-92,6-Bis(4-methoxyphenyl)-3-(propan-2-yl)piperidin-4-one2,6-bis(4-methoxyphenyl)-3-propan-2-ylpiperidin-4-one3-isopropyl-2,6-bis(4-methoxyphenyl)-4-piperidinoneOprea1_696554Oprea1_760630DTXSID10396022AB00097615-01
Database identifiers
- CAS
5806-19-9- PubChem CID
- 3758355
- DTXSID
DTXSID10396022
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
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