Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate
TL;DR: Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate (CAS 602268-68-8) is a chemical compound with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate
Also Known As: Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate, 4-Piperidinecarboxylicacid,1- -,ethylester, ETHYL 1-(3-ISOCYANOPROPYL)-4-PIPERIDINECARBOXYLATE, 4-piperidinecarboxylic acid,1-(3-isocyanopropyl)-,ethyl ester, 4-Piperidinecarboxylic acid, 1-(3-isocyanopropyl)-, ethyl ester (9CI)
| Molecular Formula | C12H20N2O2 |
|---|---|
| Molecular Weight | 224.15 g/mol |
| LogP | 1.57089 |
| Topological Polar Surface Area | 33.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.15248 |
| Heavy Atoms | 16 |
| Complexity | 252.2346 |
Chemical Identifiers
| CAS Number | 602268-68-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CCC[N+]#[C-] |
Product Overview
Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate (CAS 602268-68-8), with molecular formula C12H20N2O2 and molecular weight 224.15 g/mol. IUPAC: ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate
Property Insights of Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate
The XLogP value of 1.57089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate. With a topological polar surface area (TPSA) of 33.9 Ų, Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate 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 1-(3-isocyanopropyl)piperidine-4-carboxylate?
The CAS number of Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate is 602268-68-8.
What is the molecular formula of Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate?
The molecular formula of Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate is C12H20N2O2.
What is the molecular weight of Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate?
The molecular weight of Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate is 224.15 g/mol.
Where can I buy Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate?
You can request a quote for Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(3-isocyanopropyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.