3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile
TL;DR: 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile (CAS 549474-88-6) is a chemical compound with molecular formula C10H16N2O and molecular weight 180.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dimethylpiperidin-1-yl)-3-oxopropanenitrile
Also Known As: Piperidine, 1-(cyanoacetyl)-2,6-dimethyl- (9CI), 3-(2,6-dimethyl-1-piperidyl)-3-oxo-propanenitrile, 3-(2,6-dimethylpiperidin-1-yl)-3-oxopropanenitrile
| Molecular Formula | C10H16N2O |
|---|---|
| Molecular Weight | 180.13 g/mol |
| LogP | 1.68958 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.12627 |
| Heavy Atoms | 13 |
| Complexity | 221.56947 |
Chemical Identifiers
| CAS Number | 549474-88-6 |
|---|---|
| SMILES | CC1CCCC(N1C(=O)CC#N)C |
Product Overview
3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile (CAS 549474-88-6), with molecular formula C10H16N2O and molecular weight 180.13 g/mol. IUPAC: 3-(2,6-dimethylpiperidin-1-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile
Property Insights of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile
The XLogP value of 1.68958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile 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
Frequently Asked Questions
What is the CAS number of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile?
The CAS number of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile is 549474-88-6.
What is the molecular formula of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile?
The molecular formula of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile is C10H16N2O.
What is the molecular weight of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile?
The molecular weight of 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile is 180.13 g/mol.
Where can I buy 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile?
You can request a quote for 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.