Basic information
- CAS
151454-11-4- Standard SMILES
COc1ccc(C2NC(c3ccc(OC)cc3)C(C)C(=O)C2C)cc1- InChIKey
RVYZVGKIODSCSZ-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- 2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
- IUPAC
- 2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one
Names & synonyms
2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one151454-11-4NSC6365882,6-bis(4-methoxyphenyl)-3,5-dimethyl-piperidin-4-one4-Piperidinone, 2,6-bis(4-methoxyphenyl)-3,5-dimethyl-ChemDiv3_007937Oprea1_125152Oprea1_190879MLS001182184CHEMBL1719794SCHEMBL13074084DTXSID80327166
Show more names
HMS1495I17HMS2863D09HMS5091P06CCG-48313STK721993AKOS000567887AKOS021611260NSC-636588
Database identifiers
- CAS
151454-11-4- PubChem CID
- 367137
- DTXSID
DTXSID80327166- ChEMBL
CHEMBL1719794- Nikkaji
- J2.553.251A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility12.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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