1-(4-hydroxybut-2-yn-1-yl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(4-hydroxybut-2-yn-1-yl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
1-(4-hydroxybut-2-yn-1-yl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 5586-2653 |
| Compound Name: | 1-(4-hydroxybut-2-yn-1-yl)-1-(3-phenylprop-2-yn-1-yl)piperidin-1-ium--bromide (1/1) |
| Molecular Weight: | 348.28 |
| Molecular Formula: | C18 H22 N O |
| Salt: | Br- |
| Smiles: | C1CC[N+](CC1)(CC#CCO)CC#Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1258 |
| logD: | 3.1258 |
| logSw: | -2.9212 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 17.7709 |
| InChI Key: | XDJXIKAEERSEGT-UHFFFAOYSA-N |