![3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile structure](/static/products/3384/338422-34-7.webp)
3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile
TL;DR: 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile (CAS 338422-34-7) is a chemical compound with molecular formula C13H15FN4 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-iminopropanenitrile
Also Known As: 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile, 3-[4-(4-fluorophenyl)piperazin-1-yl]-3-iminopropanenitrile, 3-[4-(4-fluorophenyl)piperazino]-3-iminopropanenitrile, 3-[4-(4-fluorophenyl)piperazinyl]-3-iminopropanenitrile, 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropanitrile
| Molecular Formula | C13H15FN4 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 1.83865 |
| Topological Polar Surface Area | 54.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.12808 |
| Heavy Atoms | 18 |
| Complexity | 454.87476 |
Chemical Identifiers
| CAS Number | 338422-34-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=N)CC#N |
Product Overview
3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile (CAS 338422-34-7), with molecular formula C13H15FN4 and molecular weight 246.13 g/mol. IUPAC: 3-[4-(4-fluorophenyl)piperazin-1-yl]-3-iminopropanenitrile.
Chemical Property Profile of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile
Property Insights of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile
The XLogP value of 1.83865 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile. With a topological polar surface area (TPSA) of 54.12 Ų, 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile?
The CAS number of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile is 338422-34-7.
What is the molecular formula of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile?
The molecular formula of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile is C13H15FN4.
What is the molecular weight of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile?
The molecular weight of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile is 246.13 g/mol.
Where can I buy 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile?
You can request a quote for 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-Fluorophenyl)piperazin-1-yl]-3-iminopropionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.