TL;DR: Ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate (CAS 148729-11-7) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate
Also Known As: ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate, Ethyl 1-[(4-methoxyphenyl)methyl]piperidine-4-carboxylate, AB00078176-01, ethyl 1-(4-methoxybenzyl)-4-piperidinecarboxylate, ethyl N-(4-methoxyphenylmethyl)piperidin-4-ylcarboxylate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H23NO3 |
| Molecular Weight | 277.1678 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.1678 Da |
| Heavy Atoms | 20 |
| Complexity | 292.0 |
| SMILES | CCOC(=O)C1CCN(CC1)CC2=CC=C(C=C2)OC |
| InChIKey | PONGQLNJCKXSBP-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate has 0 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 Ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate is 148729-11-7.
The molecular formula of Ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate is C16H23NO3.
The molecular weight of Ethyl 1-(4-methoxybenzyl)piperidine-4-carboxylate is 277.1678 g/mol.
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