1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole
TL;DR: 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole (CAS 5209-48-3) is a chemical compound with molecular formula C16H21N2+ and molecular weight 241.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole
Also Known As: 1,2-dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole, 1-[(1,2-Dimethyl-1H-indol-3-yl)methylidene]piperidin-1-ium, 1,2-dimethyl-3-(3,4,5,6-tetrahydro-2H-pyridin-1-ylidenemethyl)indole
| Molecular Formula | C16H21N2+ |
|---|---|
| Molecular Weight | 241.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 7.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.17047 |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 5209-48-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1C)C=[N+]3CCCCC3 |
| InChIKey | IJQOIGZIHPCVDY-UHFFFAOYSA-N |
Product Overview
1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole (CAS 5209-48-3), with molecular formula C16H21N2+ and molecular weight 241.17 g/mol. IUPAC: 1,2-dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole.
Chemical Property Profile of 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole
Property Insights of 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole. With a topological polar surface area (TPSA) of 7.9 Ų, 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole has 0 hydrogen bond donor(s) and 0 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 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole?
The CAS number of 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole is 5209-48-3.
What is the molecular formula of 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole?
The molecular formula of 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole is C16H21N2+.
What is the molecular weight of 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole?
The molecular weight of 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole is 241.17 g/mol.
Where can I buy 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole?
You can request a quote for 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl-3-(piperidin-1-ium-1-ylidenemethyl)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.