1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one
TL;DR: 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one (CAS 540800-80-4) is a chemical compound with molecular formula C16H23NO2 and molecular weight 261.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylpiperidin-1-yl)-2-phenoxybutan-1-one
Also Known As: 1-(2-methylpiperidin-1-yl)-2-phenoxybutan-1-one, 1-(2-methylpiperidyl)-2-phenoxybutan-1-one
| Molecular Formula | C16H23NO2 |
|---|---|
| Molecular Weight | 261.17 g/mol |
| LogP | 3.245 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.17288 |
| Heavy Atoms | 19 |
| Complexity | 404.4698 |
Chemical Identifiers
| CAS Number | 540800-80-4 |
|---|---|
| SMILES | CCC(C(=O)N1CCCCC1C)OC2=CC=CC=C2 |
Product Overview
1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one (CAS 540800-80-4), with molecular formula C16H23NO2 and molecular weight 261.17 g/mol. IUPAC: 1-(2-methylpiperidin-1-yl)-2-phenoxybutan-1-one.
Chemical Property Profile of 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one
Property Insights of 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one
The XLogP value of 3.245 indicates that 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one 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-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one?
The CAS number of 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one is 540800-80-4.
What is the molecular formula of 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one?
The molecular formula of 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one is C16H23NO2.
What is the molecular weight of 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one?
The molecular weight of 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one is 261.17 g/mol.
Where can I buy 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one?
You can request a quote for 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylpiperidin-1-yl)-2-phenoxybutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.