TL;DR: Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(m-tolyl)- (CAS 1243-53-4) is a chemical compound with molecular formula C21H28N2O2 and molecular weight 340.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylphenyl)piperazine
Also Known As: Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(m-tolyl)-, 1-(3,4-Dimethoxyphenethyl)-4-(m-tolyl)-piperazine, 5-23-02-00160 (Beilstein Handbook Reference), 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-methylphenyl)piperazine, 1-(3,4-Dimethoxyphenethyl)-4-(m-tolyl)piperazine
| Molecular Formula | C21H28N2O2 |
| Molecular Weight | 340.2151 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.2151 Da |
| Heavy Atoms | 25 |
| Complexity | 384.0 |
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC |
| InChIKey | LIUJZMKSXPPCOK-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(m-tolyl)- 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-dimethoxyphenethyl)-4-(m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(m-tolyl)- 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-dimethoxyphenethyl)-4-(m-tolyl)- is 1243-53-4.
The molecular formula of Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(m-tolyl)- is C21H28N2O2.
The molecular weight of Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(m-tolyl)- is 340.2151 g/mol.
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