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Diethyl [(piperidin-1-yl)methylidene]propanedioate
TL;DR: Diethyl [(piperidin-1-yl)methylidene]propanedioate (CAS 6275-97-4) is a chemical compound with molecular formula C13H21NO4 and molecular weight 255.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(piperidin-1-ylmethylidene)propanedioate
Also Known As: diethyl(piperidin-1-ylmethylidene)propanedioate, 1,1-diethoxycarbonyl-2-piperidinoethene, diethyl 2-(1-piperidinylmethylene)malonate, Diethyl [(piperidin-1-yl)methylidene]propanedioate, diethyl 2-(piperidin-1-ylmethylidene)propanedioate
| Molecular Formula | C13H21NO4 |
|---|---|
| Molecular Weight | 255.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.14706 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 6275-97-4 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCCCC1)C(=O)OCC |
| InChIKey | FAAZPFPFOALBGW-UHFFFAOYSA-N |
Product Overview
Diethyl [(piperidin-1-yl)methylidene]propanedioate (CAS 6275-97-4), with molecular formula C13H21NO4 and molecular weight 255.15 g/mol. IUPAC: diethyl 2-(piperidin-1-ylmethylidene)propanedioate.
Chemical Property Profile of Diethyl [(piperidin-1-yl)methylidene]propanedioate
Property Insights of Diethyl [(piperidin-1-yl)methylidene]propanedioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [(piperidin-1-yl)methylidene]propanedioate. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl [(piperidin-1-yl)methylidene]propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl [(piperidin-1-yl)methylidene]propanedioate 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 [(piperidin-1-yl)methylidene]propanedioate?
The CAS number of Diethyl [(piperidin-1-yl)methylidene]propanedioate is 6275-97-4.
What is the molecular formula of Diethyl [(piperidin-1-yl)methylidene]propanedioate?
The molecular formula of Diethyl [(piperidin-1-yl)methylidene]propanedioate is C13H21NO4.
What is the molecular weight of Diethyl [(piperidin-1-yl)methylidene]propanedioate?
The molecular weight of Diethyl [(piperidin-1-yl)methylidene]propanedioate is 255.15 g/mol.
Where can I buy Diethyl [(piperidin-1-yl)methylidene]propanedioate?
You can request a quote for Diethyl [(piperidin-1-yl)methylidene]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [(piperidin-1-yl)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [(piperidin-1-yl)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.