3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester
TL;DR: 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester (CAS 1427927-15-8) is a chemical compound with molecular formula C13H20N2O3 and molecular weight 252.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 3-(2-cyanoacetyl)piperidine-1-carboxylate
Also Known As: 4-ethylthiobenzaldehyde, tert-butyl 3-(2-cyanoacetyl)piperidine-1-carboxylate, 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester, 1-BOC-3-(CYANOACETYL)PIPERIDINE, 1-Piperidinecarboxylicacid, 3-(2-cyanoacetyl)-, 1,1-dimethylethyl ester
Technical Specifications
| Molecular Formula | C13H20N2O3 |
| Molecular Weight | 252.1474 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.1474 Da |
| Heavy Atoms | 18 |
| Complexity | 375.0 |
| SMILES | CC(C)(C)OC(=O)N1CCCC(C1)C(=O)CC#N |
| InChIKey | JAZKIHRZCJYSKE-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester
Property Insights of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester. Following Lipinski's Rule of Five, 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester?
The CAS number of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester is 1427927-15-8.
What is the molecular formula of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester?
The molecular formula of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester is C13H20N2O3.
What is the molecular weight of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester?
The molecular weight of 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester is 252.1474 g/mol.
Where can I buy 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester?
You can request a quote for 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(2-Cyano-acetyl)-piperidine-1-carboxylic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.