TL;DR: (2,6-Dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone (CAS 1005627-24-6) is a chemical compound with molecular formula C12H18IN3O and molecular weight 347.04947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,6-dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone
Also Known As: (2,6-dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone, (2,6-dimethyl-1-piperidyl)-(4-iodo-1-methyl-pyrazol-3-yl)methanone, (2,6-dimethylpiperidin-1-yl)(4-iodo-1-methyl-1H-pyrazol-3-yl)methanone, (2,6-DIMETHYLPIPERIDINO)(4-IODO-1-METHYL-1H-PYRAZOL-3-YL)METHANONE, 1-[(4-iodo-1-methyl-1H-pyrazol-3-yl)carbonyl]-2,6-dimethylpiperidine
| Molecular Formula | C12H18IN3O |
| Molecular Weight | 347.04947 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.04947 Da |
| Heavy Atoms | 17 |
| Complexity | 289.0 |
| SMILES | CC1CCCC(N1C(=O)C2=NN(C=C2I)C)C |
| InChIKey | JYAVVLXWYMLBEB-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone. With a topological polar surface area (TPSA) of 38.1 Ų, (2,6-Dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,6-Dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone 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 (2,6-Dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone is 1005627-24-6.
The molecular formula of (2,6-Dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone is C12H18IN3O.
The molecular weight of (2,6-Dimethylpiperidin-1-yl)-(4-iodo-1-methylpyrazol-3-yl)methanone is 347.04947 g/mol.
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