1,1-Dimethyl-3-acetoxypiperidine
TL;DR: 1,1-Dimethyl-3-acetoxypiperidine (CAS 6340-82-5) is a chemical compound with molecular formula C9H18NO2+ and molecular weight 172.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dimethylpiperidin-1-ium-3-yl) acetate
Also Known As: 1,1-Dimethyl-3-acetoxypiperidine, 3-(acetyloxy)-1,1-dimethylpiperidinium, (1,1-dimethylpiperidin-1-ium-3-yl) acetate, Piperidinium,3-(acetyloxy)-1,1-dimethyl-, 3-(Acetyloxy)-1,1-dimethylpiperidinium, iodide
| Molecular Formula | C9H18NO2+ |
|---|---|
| Molecular Weight | 172.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.13376 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 6340-82-5 |
|---|---|
| SMILES | CC(=O)OC1CCC[N+](C1)(C)C |
| InChIKey | BGCBKTVIXRMRQY-UHFFFAOYSA-N |
Product Overview
1,1-Dimethyl-3-acetoxypiperidine (CAS 6340-82-5), with molecular formula C9H18NO2+ and molecular weight 172.13 g/mol. IUPAC: (1,1-dimethylpiperidin-1-ium-3-yl) acetate.
Chemical Property Profile of 1,1-Dimethyl-3-acetoxypiperidine
Property Insights of 1,1-Dimethyl-3-acetoxypiperidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethyl-3-acetoxypiperidine. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1-Dimethyl-3-acetoxypiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-3-acetoxypiperidine 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 1,1-Dimethyl-3-acetoxypiperidine?
The CAS number of 1,1-Dimethyl-3-acetoxypiperidine is 6340-82-5.
What is the molecular formula of 1,1-Dimethyl-3-acetoxypiperidine?
The molecular formula of 1,1-Dimethyl-3-acetoxypiperidine is C9H18NO2+.
What is the molecular weight of 1,1-Dimethyl-3-acetoxypiperidine?
The molecular weight of 1,1-Dimethyl-3-acetoxypiperidine is 172.13 g/mol.
Where can I buy 1,1-Dimethyl-3-acetoxypiperidine?
You can request a quote for 1,1-Dimethyl-3-acetoxypiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-3-acetoxypiperidine?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-3-acetoxypiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.