Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester
TL;DR: Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester (CAS 54751-95-0) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyl-6-methylpiperidin-3-yl) acetate
Also Known As: 1-Acetyl-6-methyl-3-piperidinyl acetate, 1-acetyl-6-methylpiperidin-3-yl acetate, (1-acetyl-6-methylpiperidin-3-yl) acetate, 1-Acetyl-6-methyl-3-piperidinyl acetate #, Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester
| Molecular Formula | C10H17NO3 |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.12085 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 54751-95-0 |
|---|---|
| SMILES | CC1CCC(CN1C(=O)C)OC(=O)C |
| InChIKey | JTTBRRBLGQDKCI-UHFFFAOYSA-N |
Product Overview
Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester (CAS 54751-95-0), with molecular formula C10H17NO3 and molecular weight 199.12 g/mol. IUPAC: (1-acetyl-6-methylpiperidin-3-yl) acetate.
Chemical Property Profile of Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester
Property Insights of Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester. With a topological polar surface area (TPSA) of 46.6 Ų, Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester has 0 hydrogen bond donor(s) and 3 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 Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester?
The CAS number of Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester is 54751-95-0.
What is the molecular formula of Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester?
The molecular formula of Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester is C10H17NO3.
What is the molecular weight of Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester?
The molecular weight of Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester is 199.12 g/mol.
Where can I buy Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester?
You can request a quote for Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid 1-acetyl-6-methylpiperidin-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.