α-Pyrrolidinocyclohexanophenone
| α-PCyP | |
|---|---|
| Molecular structure via molpic based on CDK |
| Physical properties [] | |
|---|---|
| Molecular mass | 271.4 g/mol [1] |
| Predicted LogP | 4.6 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C18H25NO [1] |
| IUPAC name | 2-cyclohexyl-1-phenyl-2-pyrrolidin-1-ylethanone [1] |
| SMILES | C1CCC(CC1)C(C(=O)C2=CC=CC=C2)N3CCCC3 [1] |
| InChI | InChI=1S/C18H25NO/c20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15/h2,5-6,11-12,15,17H,1,3-4,7-10,13-14H2 [1] |
| InChIKey | FKEHRWJWTWDTDB-UHFFFAOYSA-N [1] |
α-Pyrrolidinocyclohexanophenone (also known as α-Pcyp, α-PCYP, Ethanone, 2-cyclohexyl-1-phenyl-2-(1-pyrrolidinyl)-, 2-Cyclohexyl-1-phenyl-2-(pyrrolidin-1-yl)ethanone or 2-cyclohexyl-1-phenyl-2-pyrrolidin-1-yl-ethan-1-one) is a
Chemistry
Stereochemistry []
α-Pyrrolidinocyclohexanophenone is a racemic mixture of the enantiomers.
| Stereoisomerism |
|---|
| Stereoisomer enumberation with rdkit |
Druglikeness
Lipinski's rule of five
α-Pyrrolidinocyclohexanophenone matches Lipinski's rule of five.See also []
- Substituted pyrrolidinophenones (pyros)
External links []
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 155884437, α-Pyrrolidinocyclohexanophenone. Accessed June 10, 2026. https://pubchem.ncbi.nlm.nih.gov/compound/155884437
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. α-Pyrrolidinocyclohexanophenone. UNII: PJ2S9WH4A2. Global Substance Registration System. Accessed June 10, 2026. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PJ2S9WH4A2