1-methyl-1-{2-[3-(4-methylphenyl)propoxy]-2-oxoethyl}piperidin-1-ium
Chemical Structure Depiction of
1-methyl-1-{2-[3-(4-methylphenyl)propoxy]-2-oxoethyl}piperidin-1-ium
1-methyl-1-{2-[3-(4-methylphenyl)propoxy]-2-oxoethyl}piperidin-1-ium
Compound characteristics
| Compound ID: | 6228-0287 |
| Compound Name: | 1-methyl-1-{2-[3-(4-methylphenyl)propoxy]-2-oxoethyl}piperidin-1-ium |
| Molecular Weight: | 417.33 |
| Molecular Formula: | C18 H28 N O2 |
| Salt: | I- |
| Smiles: | Cc1ccc(CCCOC(C[N+]2(C)CCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7366 |
| logD: | 3.7366 |
| logSw: | -3.7829 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 21.0978 |
| InChI Key: | HHDRXOBOMIXGGC-UHFFFAOYSA-N |