TL;DR: Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide (CAS 64011-20-7) is a chemical compound with molecular formula C20H27IN2O2 and molecular weight 454.11172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3,4-dimethoxyphenyl)methyl]-4-phenylpiperazine;iodomethane
Also Known As: KST-1B7036, 1-(3,4-Dimethoxybenzyl)-4-phenylpiperazine methyl iodide, 1-(3,4-dimethoxybenzyl)-4-phenylpiperazine- iodomethane(1:1), Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide, 1-(3,4-Dimethoxybenzyl)-4-(3-(6-methoxypyridazinyl))piperazine
| Molecular Formula | C20H27IN2O2 |
| Molecular Weight | 454.11172 g/mol |
| XLogP | 4.08 |
| Topological Polar Surface Area (TPSA) | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.11172 Da |
| Heavy Atoms | 25 |
| Complexity | 340.0 |
| SMILES | COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3)OC.CI |
| InChIKey | LPOUHWZUIZRZCD-UHFFFAOYSA-N |
The XLogP value of 4.08 indicates that Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide is 64011-20-7.
The molecular formula of Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide is C20H27IN2O2.
The molecular weight of Piperazine, 1-(3,4-dimethoxybenzyl)-4-phenyl-, methyl iodide is 454.11172 g/mol.
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