Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
TL;DR: Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate (CAS 1838-39-7) is a chemical compound with molecular formula C12H21NO4 and molecular weight 243.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
Also Known As: Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate, ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate, 1-carbethoxymethyl-4-carbethoxypiperidine, Ethyl 1-ethoxycarbonylmethyl-iso-nipecotate, ACN-S005369
| Molecular Formula | C12H21NO4 |
|---|---|
| Molecular Weight | 243.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 243.14706 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 1838-39-7 |
|---|---|
| SMILES | CCOC(=O)CN1CCC(CC1)C(=O)OCC |
| InChIKey | OBXXSRPAQLOXJN-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate (CAS 1838-39-7), with molecular formula C12H21NO4 and molecular weight 243.15 g/mol. IUPAC: ethyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
Property Insights of Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate 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 4-(ethoxycarbonyl)piperidine-1-acetate?
The CAS number of Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate is 1838-39-7.
What is the molecular formula of Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate?
The molecular formula of Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate is C12H21NO4.
What is the molecular weight of Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate?
The molecular weight of Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate is 243.15 g/mol.
Where can I buy Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate?
You can request a quote for Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.