![[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol structure](/static/products/105/105812-81-5.webp)
[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol
TL;DR: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol (CAS 105812-81-5) is a chemical compound with molecular formula C13H19FNO+ and molecular weight 224.14507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol
Also Known As: (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine, (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
Technical Specifications
| Molecular Formula | C13H19FNO+ |
| Molecular Weight | 224.14507 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.14507 Da |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
| SMILES | C[NH+]1CC[C@H]([C@@H](C1)CO)C2=CC=C(C=C2)F |
| InChIKey | CXRHUYYZISIIMT-AAEUAGOBSA-O |
Chemical Property Profile of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol
Property Insights of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol. With a topological polar surface area (TPSA) of 24.7 Ų, [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol?
The CAS number of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol is 105812-81-5.
What is the molecular formula of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol?
The molecular formula of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol is C13H19FNO+.
What is the molecular weight of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol?
The molecular weight of [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol is 224.14507 g/mol.
Where can I buy [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol?
You can request a quote for [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol?
Yes, CoreyChem provides custom synthesis services for [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.