TL;DR: 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide (CAS 102339-10-6) is a chemical compound with molecular formula C12H23IN2 and molecular weight 322.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,1-dimethyl-4-piperidin-1-yl-3,6-dihydro-2H-pyridin-1-ium iodide
Also Known As: 1,2,5,6-Tetrahydro-1,1-dimethyl-4-piperidinopyridinium iodide, 1,2,5,6-Tetrahydro-1,1-dimethyl-4-piperidinopyridium iodide, 1,1-Dimethyl-4-piperidino-1,2,5,6-tetrahydropyridinium iodide, 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide, 1,1-dimethyl-4-(1-piperidyl)-5,6-dihydro-2H-pyridine Iodide
| Molecular Formula | C12H23IN2 |
| Molecular Weight | 322.0906 g/mol |
| XLogP | -1.1597 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.0906 Da |
| Heavy Atoms | 15 |
| Complexity | 224.0 |
| SMILES | C[N+]1(CCC(=CC1)N2CCCCC2)C.[I-] |
| InChIKey | ZVWPLSBXAMQOBS-UHFFFAOYSA-M |
The XLogP value of -1.1597 indicates that 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.2 Ų, 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide is 102339-10-6.
The molecular formula of 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide is C12H23IN2.
The molecular weight of 1,1-Dimethyl-4-(piperidin-1-yl)-1,2,3,6-tetrahydropyridin-1-ium iodide is 322.0906 g/mol.
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