1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone
TL;DR: 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone (CAS 464920-46-5) is a chemical compound with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(piperidin-1-ylmethyl)-4-propan-2-yloxyphenyl]ethanone;hydrochloride
Also Known As: 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone, 1-(4-isopropoxy-3-(piperidin-1-ylmethyl)phenyl)ethanone hydrochloride, 1-[3-(piperidin-1-ylmethyl)-4-propan-2-yloxyphenyl]ethanone hydrochloride
| Molecular Formula | C17H26ClNO2 |
|---|---|
| Molecular Weight | 311.17 g/mol |
| LogP | 4.0841 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.1652 |
| Heavy Atoms | 21 |
| Complexity | 467.85794 |
Chemical Identifiers
| CAS Number | 464920-46-5 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)C(=O)C)CN2CCCCC2.Cl |
Product Overview
1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone (CAS 464920-46-5), with molecular formula C17H26ClNO2 and molecular weight 311.17 g/mol. IUPAC: 1-[3-(piperidin-1-ylmethyl)-4-propan-2-yloxyphenyl]ethanone;hydrochloride.
Chemical Property Profile of 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone
Property Insights of 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone
The XLogP value of 4.0841 indicates that 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone 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-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone 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 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone?
The CAS number of 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone is 464920-46-5.
What is the molecular formula of 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone?
The molecular formula of 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone is C17H26ClNO2.
What is the molecular weight of 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone?
The molecular weight of 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone is 311.17 g/mol.
Where can I buy 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone?
You can request a quote for 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isopropoxy-3-piperidin-1-ylmethyl-phenyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.