![3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile structure](/static/products/154/154060-79-4.webp)
3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile
TL;DR: 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile (CAS 154060-79-4) is a chemical compound with molecular formula C19H21N3O and molecular weight 307.16846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzonitrile
Also Known As: 1-(3-cyanobenzyl)-4-(2-methoxyphenyl)piperazine, 3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzonitrile, 3-{[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]METHYL}BENZONITRILE
Technical Specifications
| Molecular Formula | C19H21N3O |
| Molecular Weight | 307.16846 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.16846 Da |
| Heavy Atoms | 23 |
| Complexity | 410.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)C#N |
| InChIKey | FFJKEXGTKDKRLC-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile
Property Insights of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile
The XLogP value of 3.0 indicates that 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.5 Ų, 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile 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
What is the CAS number of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile?
The CAS number of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile is 154060-79-4.
What is the molecular formula of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile?
The molecular formula of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile is C19H21N3O.
What is the molecular weight of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile?
The molecular weight of 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile is 307.16846 g/mol.
Where can I buy 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile?
You can request a quote for 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile?
Yes, CoreyChem provides custom synthesis services for 3-{[4-(2-Methoxyphenyl)piperazin-1-YL]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.