TL;DR: 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1) (CAS 38198-51-5) is a chemical compound with molecular formula C21H33ClN2O3 and molecular weight 396.21796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-propoxyphenyl)carbamate chloride
Also Known As: p-Propoxycarbanilic acid trans-2-piperidinocyclohexyl ester hydrochloride, CARBANILIC ACID, p-PROPOXY-, 2-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDE, (E)-, [(1R)-2-piperidin-1-ium-1-ylcyclohexyl] N-(4-propoxyphenyl)carbamate chloride, 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1)
| Molecular Formula | C21H33ClN2O3 |
| Molecular Weight | 396.21796 g/mol |
| XLogP | 0.41 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.21796 Da |
| Heavy Atoms | 27 |
| Complexity | 417.0 |
| SMILES | CCCOC1=CC=C(C=C1)NC(=O)O[C@@H]2CCCCC2[NH+]3CCCCC3.[Cl-] |
| InChIKey | DQYOEILABRWKAR-TVEITMRYSA-N |
The XLogP value of 0.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 52.0 Ų, 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1) is 38198-51-5.
The molecular formula of 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1) is C21H33ClN2O3.
The molecular weight of 2-(Piperidin-1-yl)cyclohexyl (4-propoxyphenyl)carbamate--hydrogen chloride (1/1) is 396.21796 g/mol.
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