4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester
TL;DR: 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester (CAS 1177846-91-1) is a chemical compound with molecular formula C15H22ClNO3 and molecular weight 299.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-3-yl) 4-ethoxybenzoate;hydrochloride
Also Known As: (1-methyl-3-piperidyl) 4-ethoxybenzoate Hydrochloride, 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester, (1-methylpiperidin-3-yl) 4-ethoxybenzoate hydrochloride, 1-METHYLPIPERIDIN-3-YL 4-ETHOXYBENZOATE HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C15H22ClNO3 |
| Molecular Weight | 299.1288 g/mol |
| XLogP | 2.7581 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.1288 Da |
| Heavy Atoms | 20 |
| Complexity | 287.0 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)OC2CCCN(C2)C.Cl |
| InChIKey | HVMMCWNUHICWHV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester
Property Insights of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester
The XLogP value of 2.7581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester. With a topological polar surface area (TPSA) of 38.8 Ų, 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester?
The CAS number of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester is 1177846-91-1.
What is the molecular formula of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester?
The molecular formula of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester is C15H22ClNO3.
What is the molecular weight of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester?
The molecular weight of 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester is 299.1288 g/mol.
Where can I buy 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester?
You can request a quote for 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester?
Yes, CoreyChem provides custom synthesis services for 4-Ethoxy-benzoic acid 1-methyl-piperidin-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.