TL;DR: Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate (CAS 63981-57-7) is a chemical compound with molecular formula C18H29IN2O2 and molecular weight 432.12738 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[4-(piperidine-1-carbonyloxy)-2-propan-2-ylphenyl]azanium iodide
Also Known As: 1-Piperidinecarboxylic acid, 4-(trimethylammonio)-m-cumenyl ester, iodide, Ammonium, (4-(piperidinocarbonyloxy)-o-cumenyl)trimethyl-, iodide, AMMONIUM, (4-HYDROXY-o-CUMENYL)TRIMETHYL-, IODIDE, 1-PIPERIDINECARBOXYLATE, Carbamic acid, N,N-pentamethylene-, 3-isopropyl-4-dimethylaminophenyl ester, methiodide, trimethyl-[4-(piperidine-1-carbonyloxy)-2-propan-2-ylphenyl]azanium iodide
| Molecular Formula | C18H29IN2O2 |
| Molecular Weight | 432.12738 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.12738 Da |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
| SMILES | CC(C)C1=C(C=CC(=C1)OC(=O)N2CCCCC2)[N+](C)(C)C.[I-] |
| InChIKey | VJBKYGFXMLOQSZ-UHFFFAOYSA-M |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate is 63981-57-7.
The molecular formula of Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate is C18H29IN2O2.
The molecular weight of Ammonium, (4-hydroxy-o-cumenyl)trimethyl-, iodide, 1-piperidinecarboxylate is 432.12738 g/mol.
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