3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile
TL;DR: 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile (CAS 670235-07-1) is a chemical compound with molecular formula C13H15FN2 and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-4-(4-methylpiperidin-1-yl)benzonitrile
Also Known As: 3-fluoro-4-(4-methylpiperidin-1-yl)benzonitrile, BAS 03569588, 3-fluoro-4-(4-methyl-1-piperidyl)benzonitrile, 3-Fluoro-4-(4-methyl-piperidin-1-yl)-benzonitrile, A1-28393
| Molecular Formula | C13H15FN2 |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 2.93368 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.12193 |
| Heavy Atoms | 16 |
| Complexity | 414.43103 |
Chemical Identifiers
| CAS Number | 670235-07-1 |
|---|---|
| SMILES | CC1CCN(CC1)C2=C(C=C(C=C2)C#N)F |
Product Overview
3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile (CAS 670235-07-1), with molecular formula C13H15FN2 and molecular weight 218.12 g/mol. IUPAC: 3-fluoro-4-(4-methylpiperidin-1-yl)benzonitrile.
Chemical Property Profile of 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile
Property Insights of 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile
The XLogP value of 2.93368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile has 0 hydrogen bond donor(s) and 2 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-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile?
The CAS number of 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile is 670235-07-1.
What is the molecular formula of 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile?
The molecular formula of 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile is C13H15FN2.
What is the molecular weight of 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile?
The molecular weight of 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile is 218.12 g/mol.
Where can I buy 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile?
You can request a quote for 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-(4-methylpiperidin-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.