1-(3-Methylpiperidin-1-yl)butane-1,3-dione
TL;DR: 1-(3-Methylpiperidin-1-yl)butane-1,3-dione (CAS 92671-71-1) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methylpiperidin-1-yl)butane-1,3-dione
Also Known As: 1-(3-methylpiperidin-1-yl)butane-1,3-dione, 1-Acetoacetyl-3-Methylpiperidine, 4-(3-methylpiperidin-1-yl)-4-oxobutan-2-one
Technical Specifications
| Molecular Formula | C10H17NO2 |
| Molecular Weight | 183.12593 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.12593 Da |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
| SMILES | CC1CCCN(C1)C(=O)CC(=O)C |
| InChIKey | IFEKQKFWZADYMY-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Methylpiperidin-1-yl)butane-1,3-dione
Property Insights of 1-(3-Methylpiperidin-1-yl)butane-1,3-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylpiperidin-1-yl)butane-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(3-Methylpiperidin-1-yl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylpiperidin-1-yl)butane-1,3-dione 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 1-(3-Methylpiperidin-1-yl)butane-1,3-dione?
The CAS number of 1-(3-Methylpiperidin-1-yl)butane-1,3-dione is 92671-71-1.
What is the molecular formula of 1-(3-Methylpiperidin-1-yl)butane-1,3-dione?
The molecular formula of 1-(3-Methylpiperidin-1-yl)butane-1,3-dione is C10H17NO2.
What is the molecular weight of 1-(3-Methylpiperidin-1-yl)butane-1,3-dione?
The molecular weight of 1-(3-Methylpiperidin-1-yl)butane-1,3-dione is 183.12593 g/mol.
Where can I buy 1-(3-Methylpiperidin-1-yl)butane-1,3-dione?
You can request a quote for 1-(3-Methylpiperidin-1-yl)butane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Methylpiperidin-1-yl)butane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 1-(3-Methylpiperidin-1-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.