1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-1-methylpiperidin-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-1-methylpiperidin-1-ium--iodide (1/1)
1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-1-methylpiperidin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 6228-0489 |
| Compound Name: | 1-{[5-(methoxycarbonyl)furan-2-yl]methyl}-1-methylpiperidin-1-ium--iodide (1/1) |
| Molecular Weight: | 365.21 |
| Molecular Formula: | C13 H20 N O3 |
| Salt: | I- |
| Smiles: | C[N+]1(CCCCC1)Cc1ccc(C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.0927 |
| logD: | 2.0927 |
| logSw: | -2.3803 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.6602 |
| InChI Key: | BLPUDFIKQNFNEI-UHFFFAOYSA-N |