3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
TL;DR: 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile (CAS 141991-47-1) is a chemical compound with molecular formula C13H16N4 and molecular weight 228.1375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
Also Known As: 3-amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile, 2-Propenenitrile, 3-amino-3-(4-phenyl-1-piperazinyl)-, 3-amino-3-(4-phenylpiperazino)acrylonitrile, (2E)-3-amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
Technical Specifications
| Molecular Formula | C13H16N4 |
| Molecular Weight | 228.1375 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 56.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.1375 Da |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=CC#N)N |
| InChIKey | HEKBLZZEBXHMMX-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
Property Insights of 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 56.3 Ų, 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile has 1 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-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile?
The CAS number of 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile is 141991-47-1.
What is the molecular formula of 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile?
The molecular formula of 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile is C13H16N4.
What is the molecular weight of 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile?
The molecular weight of 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile is 228.1375 g/mol.
Where can I buy 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile?
You can request a quote for 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Amino-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.