1-(Piperidin-1-yl)butane-1,3-dione
TL;DR: 1-(Piperidin-1-yl)butane-1,3-dione (CAS 126990-49-6) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-piperidin-1-ylbutane-1,3-dione
Also Known As: 1-(piperidin-1-yl)butane-1,3-dione, N-Acetoacetylpiperidin, 1-piperidin-1-ylbutane-1,3-dione, N,N-Hexamethyleneacetoacetamide, acetoacetic acid piperidide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.11028 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| SMILES | CC(=O)CC(=O)N1CCCCC1 |
| InChIKey | OVIHQCKYIOKFFX-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Piperidin-1-yl)butane-1,3-dione
Property Insights of 1-(Piperidin-1-yl)butane-1,3-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Piperidin-1-yl)butane-1,3-dione. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(Piperidin-1-yl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Piperidin-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-(Piperidin-1-yl)butane-1,3-dione?
The CAS number of 1-(Piperidin-1-yl)butane-1,3-dione is 126990-49-6.
What is the molecular formula of 1-(Piperidin-1-yl)butane-1,3-dione?
The molecular formula of 1-(Piperidin-1-yl)butane-1,3-dione is C9H15NO2.
What is the molecular weight of 1-(Piperidin-1-yl)butane-1,3-dione?
The molecular weight of 1-(Piperidin-1-yl)butane-1,3-dione is 169.11028 g/mol.
Where can I buy 1-(Piperidin-1-yl)butane-1,3-dione?
You can request a quote for 1-(Piperidin-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-(Piperidin-1-yl)butane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 1-(Piperidin-1-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.