4-(4-Methylpiperazine-1-carbonyl)benzonitrile
TL;DR: 4-(4-Methylpiperazine-1-carbonyl)benzonitrile (CAS 1000932-49-9) is a chemical compound with molecular formula C13H15N3O and molecular weight 229.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methylpiperazine-1-carbonyl)benzonitrile
Also Known As: 4-(4-methylpiperazine-1-carbonyl)benzonitrile, 4-[(4-methylpiperazin-1-yl)carbonyl]benzonitrile, 4-[(4-methyl-1-piperazinyl)carbonyl]- Benzonitrile, 4-[(4-Methyl-1-piperazinyl)carbonyl]benzonitrile, G30314
Technical Specifications
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.1215 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.1215 Da |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
| SMILES | CN1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N |
| InChIKey | LROHRAWHVXIYAH-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Methylpiperazine-1-carbonyl)benzonitrile
Property Insights of 4-(4-Methylpiperazine-1-carbonyl)benzonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylpiperazine-1-carbonyl)benzonitrile. With a topological polar surface area (TPSA) of 47.3 Ų, 4-(4-Methylpiperazine-1-carbonyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylpiperazine-1-carbonyl)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-Methylpiperazine-1-carbonyl)benzonitrile?
The CAS number of 4-(4-Methylpiperazine-1-carbonyl)benzonitrile is 1000932-49-9.
What is the molecular formula of 4-(4-Methylpiperazine-1-carbonyl)benzonitrile?
The molecular formula of 4-(4-Methylpiperazine-1-carbonyl)benzonitrile is C13H15N3O.
What is the molecular weight of 4-(4-Methylpiperazine-1-carbonyl)benzonitrile?
The molecular weight of 4-(4-Methylpiperazine-1-carbonyl)benzonitrile is 229.1215 g/mol.
Where can I buy 4-(4-Methylpiperazine-1-carbonyl)benzonitrile?
You can request a quote for 4-(4-Methylpiperazine-1-carbonyl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Methylpiperazine-1-carbonyl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4-Methylpiperazine-1-carbonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.