1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide
TL;DR: 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide (CAS 37139-85-8) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-1-oxidopiperidin-1-ium-2-carboxylic acid
Also Known As: KST-1B3675, 1-(2-cyanoethyl)piperidine-2-carboxylic acid 1-oxide, 1-(2-Cyan-ethyl)-DL-pipecolinsaeure-1-oxid, 1-(2-cyanoethyl)-1-oxidopiperidin-1-ium-2-carboxylic acid, 1-(2-Cyanoethyl)-1-oxo-1lambda~5~-piperidine-2-carboxylic acid
| Molecular Formula | C9H14N2O3 |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.10045 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 37139-85-8 |
|---|---|
| SMILES | C1CC[N+](C(C1)C(=O)O)(CCC#N)[O-] |
| InChIKey | HFJOMWDRKUFSAW-UHFFFAOYSA-N |
Product Overview
1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide (CAS 37139-85-8), with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol. IUPAC: 1-(2-cyanoethyl)-1-oxidopiperidin-1-ium-2-carboxylic acid.
Chemical Property Profile of 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide
Property Insights of 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide has 1 hydrogen bond donor(s) and 4 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-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide?
The CAS number of 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide is 37139-85-8.
What is the molecular formula of 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide?
The molecular formula of 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide is C9H14N2O3.
What is the molecular weight of 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide?
The molecular weight of 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide is 198.10 g/mol.
Where can I buy 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide?
You can request a quote for 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)piperidine-2-carboxylic acid 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.