TL;DR: Carbanilic acid, 2,6-dimethyl-, 2-piperidinocyclohexyl ester, hydrochloride (CAS 17095-91-9) is a chemical compound with molecular formula C20H31ClN2O2 and molecular weight 366.2074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-piperidin-1-ium-1-ylcyclohexyl) N-(2,6-dimethylphenyl)carbamate chloride
Also Known As: K 1503, 2-Piperidinocyclohexyl 2,6-dimethylcarbanilate hydrochloride, 2,6-Dimethylcarbanilic acid 2-piperidinocyclohexyl ester hydrochloride, CARBANILIC ACID, 2,6-DIMETHYL-, 2-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (2-piperidin-1-ium-1-ylcyclohexyl) N-(2,6-dimethylphenyl)carbamatechloride
| Molecular Formula | C20H31ClN2O2 |
| Molecular Weight | 366.2074 g/mol |
| XLogP | 0.24 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.2074 Da |
| Heavy Atoms | 25 |
| Complexity | 398.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)OC2CCCCC2[NH+]3CCCCC3.[Cl-] |
| InChIKey | UYILEDHADKPQGR-UHFFFAOYSA-N |
The XLogP value of 0.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbanilic acid, 2,6-dimethyl-, 2-piperidinocyclohexyl ester, hydrochloride. With a topological polar surface area (TPSA) of 42.8 Ų, Carbanilic acid, 2,6-dimethyl-, 2-piperidinocyclohexyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2,6-dimethyl-, 2-piperidinocyclohexyl ester, hydrochloride has 2 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 Carbanilic acid, 2,6-dimethyl-, 2-piperidinocyclohexyl ester, hydrochloride is 17095-91-9.
The molecular formula of Carbanilic acid, 2,6-dimethyl-, 2-piperidinocyclohexyl ester, hydrochloride is C20H31ClN2O2.
The molecular weight of Carbanilic acid, 2,6-dimethyl-, 2-piperidinocyclohexyl ester, hydrochloride is 366.2074 g/mol.
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