2-Methylbucinnazine
| 2-Methyl-AP-237 | |
|---|---|
| Molecular structure via molpic based on CDK |
| Physical properties [] | |
|---|---|
| Molecular mass | 286.4 g/mol [1] |
| Predicted LogP | 2.9 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C18H26N2O [1] |
| IUPAC name | 1-[2-methyl-4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one [1] |
| SMILES | CCCC(=O)N1CCN(CC1C)C/C=C/C2=CC=CC=C2 [1] |
| InChI | InChI=1S/C18H26N2O/c1-3-8-18(21)20-14-13-19(15-16(20)2)12-7-11-17-9-5-4-6-10-17/h4-7,9-11,16H,3,8,12-15H2,1-2H3/b11-7+ [1] |
| InChIKey | CRSFXYZFNAFVFC-YRNVUSSQSA-N [1] |
2-Methylbucinnazine (also known as Methyl-AP-237, Bucinnazine, 2-methyl, 2-Methyl-ap-237, 1-Butanone, 1-(2-methyl-4-(3-phenyl-2-propen-1-yl)-1-piperazinyl)-, 2-methyl AP-237, Schembl10998925 or Dea no. 9664) is a
Chemistry
Stereochemistry []
2-Methylbucinnazine is a racemic mixture of the enantiomers.
| Stereoisomerism |
|---|
| Stereoisomer enumberation with rdkit |
Druglikeness
Lipinski's rule of five
2-Methylbucinnazine matches Lipinski's rule of five.Subjective effects []
See also []
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 6447699, 2-Methylbucinnazine. Accessed June 16, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/6447699