4-((4-Methylpiperazin-1-yl)methyl)benzonitrile
TL;DR: 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile (CAS 125743-63-7) is a chemical compound with molecular formula C13H17N3 and molecular weight 215.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-methylpiperazin-1-yl)methyl]benzonitrile
Also Known As: 4-((4-methylpiperazin-1-yl)methyl)benzonitrile, 4-[(4-methylpiperazin-1-yl)methyl]benzonitrile, Imatinib Impurity 18, Imatinib Impurity 58, 4-(4-Methylpiperazin-1-ylmethyl)benzonitrile
Technical Specifications
| Molecular Formula | C13H17N3 |
| Molecular Weight | 215.14224 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 30.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.14224 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | CN1CCN(CC1)CC2=CC=C(C=C2)C#N |
| InChIKey | IVSYNRMJMLDSIB-UHFFFAOYSA-N |
Chemical Property Profile of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile
Property Insights of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile. With a topological polar surface area (TPSA) of 30.3 Ų, 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile 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
What is the CAS number of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile?
The CAS number of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile is 125743-63-7.
What is the molecular formula of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile?
The molecular formula of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile is C13H17N3.
What is the molecular weight of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile?
The molecular weight of 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile is 215.14224 g/mol.
Where can I buy 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile?
You can request a quote for 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-((4-Methylpiperazin-1-yl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.