1-Piperidinepropanoic acid, 3-methyl-, ethyl ester
TL;DR: 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester (CAS 70644-49-4) is a chemical compound with molecular formula C11H21NO2 and molecular weight 199.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-methylpiperidin-1-yl)propanoate
Also Known As: ethyl 3-(3-methylpiperidin-1-yl)propanoate, Ethyl 3-methylpiperidine-1-propionate, 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester, 3-Methyl-1-piperidinepropanoic acid ethyl ester, ETHYL3-METHYL-1-PIPERIDINEPROPIONATE,95
| Molecular Formula | C11H21NO2 |
|---|---|
| Molecular Weight | 199.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 199.15723 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 70644-49-4 |
|---|---|
| SMILES | CCOC(=O)CCN1CCCC(C1)C |
| InChIKey | AATMBDYQEPKVEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Piperidinepropanoic acid, 3-methyl-, ethyl ester (CAS 70644-49-4), with molecular formula C11H21NO2 and molecular weight 199.16 g/mol. IUPAC: ethyl 3-(3-methylpiperidin-1-yl)propanoate.
Chemical Property Profile of 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester
Property Insights of 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester 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 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester?
The CAS number of 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester is 70644-49-4.
What is the molecular formula of 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester?
The molecular formula of 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester is C11H21NO2.
What is the molecular weight of 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester?
The molecular weight of 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester is 199.16 g/mol.
Where can I buy 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester?
You can request a quote for 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinepropanoic acid, 3-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.