Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate (CAS 414893-76-8) is a chemical compound with molecular formula C17H25NO4 and molecular weight 307.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylate
Also Known As: ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate, 1-(2,4-dimethoxybenzyl)isonipecotic acid ethyl ester, ethyl 1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylate, 1-[(2,4-dimethoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester
| Molecular Formula | C17H25NO4 |
|---|---|
| Molecular Weight | 307.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.17834 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 414893-76-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CC2=C(C=C(C=C2)OC)OC |
| InChIKey | WSOHFIKVNQKKRU-UHFFFAOYSA-N |
Product Overview
Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate (CAS 414893-76-8), with molecular formula C17H25NO4 and molecular weight 307.18 g/mol. IUPAC: ethyl 1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate. With a topological polar surface area (TPSA) of 48.0 Ų, Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate is 414893-76-8.
What is the molecular formula of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate is C17H25NO4.
What is the molecular weight of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate is 307.18 g/mol.
Where can I buy Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2,4-dimethoxybenzyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.