Ethyl nipecotate
TL;DR: Ethyl nipecotate (CAS 5006-62-2) is a chemical compound with molecular formula C8H15NO2 and molecular weight 157.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl piperidine-3-carboxylate
Also Known As: Ethyl nipecotate, Ethyl piperidine-3-carboxylate, ethylnipecotate, Ethyl 3-piperidinecarboxylate, Nipecotic acid ethyl ester
| Molecular Formula | C8H15NO2 |
|---|---|
| Molecular Weight | 157.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 157.11028 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 5006-62-2 |
|---|---|
| SMILES | CCOC(=O)C1CCCNC1 |
| InChIKey | XIWBSOUNZWSFKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl nipecotate (CAS 5006-62-2), with molecular formula C8H15NO2 and molecular weight 157.11 g/mol. IUPAC: ethyl piperidine-3-carboxylate.
Chemical Property Profile of Ethyl nipecotate
Property Insights of Ethyl nipecotate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl nipecotate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl nipecotate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl nipecotate has 1 hydrogen bond donor(s) and 3 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 nipecotate?
The CAS number of Ethyl nipecotate is 5006-62-2.
What is the molecular formula of Ethyl nipecotate?
The molecular formula of Ethyl nipecotate is C8H15NO2.
What is the molecular weight of Ethyl nipecotate?
The molecular weight of Ethyl nipecotate is 157.11 g/mol.
Where can I buy Ethyl nipecotate?
You can request a quote for Ethyl nipecotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl nipecotate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl nipecotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.