1-[4-(diphenylmethoxy)but-2-yn-1-yl]-1-(prop-2-en-1-yl)piperidin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[4-(diphenylmethoxy)but-2-yn-1-yl]-1-(prop-2-en-1-yl)piperidin-1-ium--bromide (1/1)
1-[4-(diphenylmethoxy)but-2-yn-1-yl]-1-(prop-2-en-1-yl)piperidin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4095-0069 |
| Compound Name: | 1-[4-(diphenylmethoxy)but-2-yn-1-yl]-1-(prop-2-en-1-yl)piperidin-1-ium--bromide (1/1) |
| Molecular Weight: | 440.42 |
| Molecular Formula: | C25 H30 N O |
| Salt: | Br- |
| Smiles: | C=CC[N+]1(CCCCC1)CC#CCOC(c1ccccc1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3242 |
| logD: | 5.3242 |
| logSw: | -5.5528 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 8.0176 |
| InChI Key: | ZDJDHLLYIXEUAR-UHFFFAOYSA-N |