4-(2-Ethylpiperidin-1-yl)butironitrile
TL;DR: 4-(2-Ethylpiperidin-1-yl)butironitrile (CAS 13858-51-0) is a chemical compound with molecular formula C11H20N2 and molecular weight 180.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-ethylpiperidin-1-yl)butanenitrile
Also Known As: 4-(2-ethylpiperidin-1-yl)butanenitrile, 4-(2-Ethylpiperidin-1-yl)butironitrile
Technical Specifications
| Molecular Formula | C11H20N2 |
| Molecular Weight | 180.16264 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.16264 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | CCC1CCCCN1CCCC#N |
| InChIKey | CKLOZHSCENFKCO-UHFFFAOYSA-N |
Chemical Property Profile of 4-(2-Ethylpiperidin-1-yl)butironitrile
Property Insights of 4-(2-Ethylpiperidin-1-yl)butironitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Ethylpiperidin-1-yl)butironitrile. With a topological polar surface area (TPSA) of 27.0 Ų, 4-(2-Ethylpiperidin-1-yl)butironitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Ethylpiperidin-1-yl)butironitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(2-Ethylpiperidin-1-yl)butironitrile?
The CAS number of 4-(2-Ethylpiperidin-1-yl)butironitrile is 13858-51-0.
What is the molecular formula of 4-(2-Ethylpiperidin-1-yl)butironitrile?
The molecular formula of 4-(2-Ethylpiperidin-1-yl)butironitrile is C11H20N2.
What is the molecular weight of 4-(2-Ethylpiperidin-1-yl)butironitrile?
The molecular weight of 4-(2-Ethylpiperidin-1-yl)butironitrile is 180.16264 g/mol.
Where can I buy 4-(2-Ethylpiperidin-1-yl)butironitrile?
You can request a quote for 4-(2-Ethylpiperidin-1-yl)butironitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(2-Ethylpiperidin-1-yl)butironitrile?
Yes, CoreyChem provides custom synthesis services for 4-(2-Ethylpiperidin-1-yl)butironitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.