1-Acetoacetyl-2-Methylpiperidine
TL;DR: 1-Acetoacetyl-2-Methylpiperidine (CAS 196407-99-5) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpiperidin-1-yl)butane-1,3-dione
Also Known As: 1-Acetoacetyl-2-Methylpiperidine, starbld0026213, 1-(2-methylpiperidin-1-yl)butane-1,3-dione, 1-(1,3-Dioxobutyl)-2-methylpiperidine, J2.582.662K
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 196407-99-5 |
|---|---|
| SMILES | CC1CCCCN1C(=O)CC(=O)C |
| InChIKey | JWNFIWRPCZDYNI-UHFFFAOYSA-N |
Product Overview
1-Acetoacetyl-2-Methylpiperidine (CAS 196407-99-5), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: 1-(2-methylpiperidin-1-yl)butane-1,3-dione.
Chemical Property Profile of 1-Acetoacetyl-2-Methylpiperidine
Property Insights of 1-Acetoacetyl-2-Methylpiperidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetoacetyl-2-Methylpiperidine. With a topological polar surface area (TPSA) of 37.4 Ų, 1-Acetoacetyl-2-Methylpiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetoacetyl-2-Methylpiperidine 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 1-Acetoacetyl-2-Methylpiperidine?
The CAS number of 1-Acetoacetyl-2-Methylpiperidine is 196407-99-5.
What is the molecular formula of 1-Acetoacetyl-2-Methylpiperidine?
The molecular formula of 1-Acetoacetyl-2-Methylpiperidine is C10H17NO2.
What is the molecular weight of 1-Acetoacetyl-2-Methylpiperidine?
The molecular weight of 1-Acetoacetyl-2-Methylpiperidine is 183.13 g/mol.
Where can I buy 1-Acetoacetyl-2-Methylpiperidine?
You can request a quote for 1-Acetoacetyl-2-Methylpiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetoacetyl-2-Methylpiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetoacetyl-2-Methylpiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.