1,1'-[1,4-phenylenedi(prop-1-yne-1,3-diyl)]bis[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium]
Chemical Structure Depiction of
1,1'-[1,4-phenylenedi(prop-1-yne-1,3-diyl)]bis[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium]
1,1'-[1,4-phenylenedi(prop-1-yne-1,3-diyl)]bis[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium]
Compound characteristics
| Compound ID: | 4209-0127 |
| Compound Name: | 1,1'-[1,4-phenylenedi(prop-1-yne-1,3-diyl)]bis[1-(4-hydroxybut-2-yn-1-yl)piperidin-1-ium] |
| Molecular Weight: | 458.64 |
| Molecular Formula: | C30 H38 N2 O2 |
| Smiles: | C1CC[N+](CC1)(CC#CCO)CC#Cc1ccc(C#CC[N+]2(CCCCC2)CC#CCO)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2719 |
| logD: | 4.2719 |
| logSw: | -4.1711 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.303 |
| InChI Key: | UOJPONFXPYMMBI-UHFFFAOYSA-N |