1-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-1-methylpiperidin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-1-methylpiperidin-1-ium--iodide (1/1)
1-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-1-methylpiperidin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 5212-2992 |
| Compound Name: | 1-({2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl}methyl)-1-methylpiperidin-1-ium--iodide (1/1) |
| Molecular Weight: | 473.44 |
| Molecular Formula: | C22 H36 N O2 |
| Salt: | I- |
| Smiles: | CC(C)(C)c1ccc(CCC2OCC(C[N+]3(C)CCCCC3)O2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5617 |
| logD: | 4.5617 |
| logSw: | -4.2381 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 17.768 |
| InChI Key: | DWPLDLNFZDPPMG-UHFFFAOYSA-N |