Ethyl beta-methyl-1-piperidineacrylate
TL;DR: Ethyl beta-methyl-1-piperidineacrylate (CAS 36276-69-4) is a chemical compound with molecular formula C11H19NO2 and molecular weight 197.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-piperidin-1-ylbut-2-enoate
Also Known As: ethyl 3-(1-piperidyl)but-2-enoate, ethyl 3-piperidin-1-ylbut-2-enoate, ethyl (E)-3-piperidin-1-ylbut-2-enoate, ETHYL BETA-METHYL-1-PIPERIDINEACRYLATE
| Molecular Formula | C11H19NO2 |
|---|---|
| Molecular Weight | 197.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.14159 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 36276-69-4 |
|---|---|
| SMILES | CCOC(=O)C=C(C)N1CCCCC1 |
| InChIKey | YFEMUGMOONPQQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl beta-methyl-1-piperidineacrylate (CAS 36276-69-4), with molecular formula C11H19NO2 and molecular weight 197.14 g/mol. IUPAC: ethyl 3-piperidin-1-ylbut-2-enoate.
Chemical Property Profile of Ethyl beta-methyl-1-piperidineacrylate
Property Insights of Ethyl beta-methyl-1-piperidineacrylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl beta-methyl-1-piperidineacrylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl beta-methyl-1-piperidineacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl beta-methyl-1-piperidineacrylate has 0 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 beta-methyl-1-piperidineacrylate?
The CAS number of Ethyl beta-methyl-1-piperidineacrylate is 36276-69-4.
What is the molecular formula of Ethyl beta-methyl-1-piperidineacrylate?
The molecular formula of Ethyl beta-methyl-1-piperidineacrylate is C11H19NO2.
What is the molecular weight of Ethyl beta-methyl-1-piperidineacrylate?
The molecular weight of Ethyl beta-methyl-1-piperidineacrylate is 197.14 g/mol.
Where can I buy Ethyl beta-methyl-1-piperidineacrylate?
You can request a quote for Ethyl beta-methyl-1-piperidineacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl beta-methyl-1-piperidineacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl beta-methyl-1-piperidineacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.