1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide
TL;DR: 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide (CAS 73771-87-6) is a chemical compound with molecular formula C20H23IN2 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-1-methyl-4-phenylpiperidin-1-ium-4-carbonitrile iodide
Also Known As: 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidinium iodide, Piperidinium, 1-benzyl-4-cyano-1-methyl-4-phenyl-, iodide, 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide, 1-benzyl-1-methyl-4-phenylpiperidin-1-ium-4-carbonitrile iodide, 1-benzyl-1-methyl-4-phenylpiperidin-1-ium-4-carbonitrile,iodide
| Molecular Formula | C20H23IN2 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 0.89258 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0906 |
| Heavy Atoms | 23 |
| Complexity | 653.04596 |
Chemical Identifiers
| CAS Number | 73771-87-6 |
|---|---|
| SMILES | C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.[I-] |
Product Overview
1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide (CAS 73771-87-6), with molecular formula C20H23IN2 and molecular weight 418.09 g/mol. IUPAC: 1-benzyl-1-methyl-4-phenylpiperidin-1-ium-4-carbonitrile iodide.
Chemical Property Profile of 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide
Property Insights of 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide
The XLogP value of 0.89258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide. With a topological polar surface area (TPSA) of 23.79 Ų, 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide has 0 hydrogen bond donor(s) and 1 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 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide?
The CAS number of 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide is 73771-87-6.
What is the molecular formula of 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide?
The molecular formula of 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide is C20H23IN2.
What is the molecular weight of 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide?
The molecular weight of 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide is 418.09 g/mol.
Where can I buy 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide?
You can request a quote for 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-cyano-1-methyl-4-phenylpiperidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.