1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide
TL;DR: 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide (CAS 120522-49-8) is a chemical compound with molecular formula C18H28INO and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol iodide
Also Known As: (+-)-N-(trans-2-Hydroxycyclohexyl)-N-methyl-4-phenylpiperidinium iodide, 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide, Piperidinium, 1-(2-hydroxycyclohexyl)-1-methyl-4-phenyl-, iodide, (1- alpha(trans),2-beta)-(+-)-, (1S)-2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol iodide, 1-[(2S)-2-Hydroxycyclohexyl]-1-methyl-4-phenylpiperidin-1-ium iodide
| Molecular Formula | C18H28INO |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 0.3181 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.12155 |
| Heavy Atoms | 21 |
| Complexity | 428.10428 |
Chemical Identifiers
| CAS Number | 120522-49-8 |
|---|---|
| SMILES | C[N+]1(CCC(CC1)C2=CC=CC=C2)C3CCCC[C@@H]3O.[I-] |
Product Overview
1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide (CAS 120522-49-8), with molecular formula C18H28INO and molecular weight 401.12 g/mol. IUPAC: (1S)-2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)cyclohexan-1-ol iodide.
Chemical Property Profile of 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide
Property Insights of 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide
The XLogP value of 0.3181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide. With a topological polar surface area (TPSA) of 20.23 Ų, 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide has 1 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-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide?
The CAS number of 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide is 120522-49-8.
What is the molecular formula of 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide?
The molecular formula of 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide is C18H28INO.
What is the molecular weight of 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide?
The molecular weight of 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide is 401.12 g/mol.
Where can I buy 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide?
You can request a quote for 1-(2-Hydroxycyclohexyl)-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-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Hydroxycyclohexyl)-1-methyl-4-phenylpiperidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.