(3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile
TL;DR: (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile (CAS 618861-12-4) is a chemical compound with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethoxy-4-methoxyphenyl)-2-piperidin-1-ylacetonitrile
Also Known As: BAS 06656532, VU0494354-1, (3-ethoxy-4-methoxyphenyl)piperidinoacetonitrile, (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile, 2-(3-ethoxy-4-methoxyphenyl)-2-piperidin-1-ylacetonitrile
| Molecular Formula | C16H22N2O2 |
|---|---|
| Molecular Weight | 274.17 g/mol |
| LogP | 3.14448 |
| Topological Polar Surface Area | 45.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.16812 |
| Heavy Atoms | 20 |
| Complexity | 475.85547 |
Chemical Identifiers
| CAS Number | 618861-12-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(C#N)N2CCCCC2)OC |
Product Overview
(3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile (CAS 618861-12-4), with molecular formula C16H22N2O2 and molecular weight 274.17 g/mol. IUPAC: 2-(3-ethoxy-4-methoxyphenyl)-2-piperidin-1-ylacetonitrile.
Chemical Property Profile of (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile
Property Insights of (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile
The XLogP value of 3.14448 indicates that (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.49 Ų, (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile has 0 hydrogen bond donor(s) and 4 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 (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile?
The CAS number of (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile is 618861-12-4.
What is the molecular formula of (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile?
The molecular formula of (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile is C16H22N2O2.
What is the molecular weight of (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile?
The molecular weight of (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile is 274.17 g/mol.
Where can I buy (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile?
You can request a quote for (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-Ethoxy-4-methoxy-phenyl)-piperidin-1-yl-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.