3-Piperazin-1-ylaniline
TL;DR: 3-Piperazin-1-ylaniline (CAS 125422-03-9) is a chemical compound with molecular formula C10H15N3 and molecular weight 177.1266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-piperazin-1-ylaniline
Also Known As: 3-(Piperazin-1-yl)aniline, 3-piperazin-1-ylaniline, 1-(3-aminophenyl)piperazine, 3-Piperazino-anilin, 3-Piperazin-1-yl-phenylamine
Technical Specifications
| Molecular Formula | C10H15N3 |
| Molecular Weight | 177.1266 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 41.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.1266 Da |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
| SMILES | C1CN(CCN1)C2=CC=CC(=C2)N |
| InChIKey | XMVRISGEQIGXJB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Piperazin-1-ylaniline
Property Insights of 3-Piperazin-1-ylaniline
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Piperazin-1-ylaniline. With a topological polar surface area (TPSA) of 41.3 Ų, 3-Piperazin-1-ylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Piperazin-1-ylaniline has 2 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 3-Piperazin-1-ylaniline?
The CAS number of 3-Piperazin-1-ylaniline is 125422-03-9.
What is the molecular formula of 3-Piperazin-1-ylaniline?
The molecular formula of 3-Piperazin-1-ylaniline is C10H15N3.
What is the molecular weight of 3-Piperazin-1-ylaniline?
The molecular weight of 3-Piperazin-1-ylaniline is 177.1266 g/mol.
Where can I buy 3-Piperazin-1-ylaniline?
You can request a quote for 3-Piperazin-1-ylaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Piperazin-1-ylaniline?
Yes, CoreyChem provides custom synthesis services for 3-Piperazin-1-ylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.