Diethyl 2-(piperidin-1-yl)butanedioate
TL;DR: Diethyl 2-(piperidin-1-yl)butanedioate (CAS 80307-12-6) is a chemical compound with molecular formula C13H23NO4 and molecular weight 257.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-piperidin-1-ylbutanedioate
Also Known As: diethyl 2-(piperidin-1-yl)butanedioate, diethyl 2-piperidin-1-ylbutanedioate, diethyl 2-(1-piperidyl)butanedioate, 2-Piperidinosuccinic acid diethyl ester, J1.271.131J
| Molecular Formula | C13H23NO4 |
|---|---|
| Molecular Weight | 257.16 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 257.16272 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 80307-12-6 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)N1CCCCC1 |
| InChIKey | LFPMXVZGCHUQTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(piperidin-1-yl)butanedioate (CAS 80307-12-6), with molecular formula C13H23NO4 and molecular weight 257.16 g/mol. IUPAC: diethyl 2-piperidin-1-ylbutanedioate.
Chemical Property Profile of Diethyl 2-(piperidin-1-yl)butanedioate
Property Insights of Diethyl 2-(piperidin-1-yl)butanedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(piperidin-1-yl)butanedioate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl 2-(piperidin-1-yl)butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(piperidin-1-yl)butanedioate 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 Diethyl 2-(piperidin-1-yl)butanedioate?
The CAS number of Diethyl 2-(piperidin-1-yl)butanedioate is 80307-12-6.
What is the molecular formula of Diethyl 2-(piperidin-1-yl)butanedioate?
The molecular formula of Diethyl 2-(piperidin-1-yl)butanedioate is C13H23NO4.
What is the molecular weight of Diethyl 2-(piperidin-1-yl)butanedioate?
The molecular weight of Diethyl 2-(piperidin-1-yl)butanedioate is 257.16 g/mol.
Where can I buy Diethyl 2-(piperidin-1-yl)butanedioate?
You can request a quote for Diethyl 2-(piperidin-1-yl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(piperidin-1-yl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(piperidin-1-yl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.