TL;DR: 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine (CAS 63978-30-3) is a chemical compound with molecular formula C19H23ClN2O2 and molecular weight 346.1448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
Also Known As: 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine, KST-1B6994, 1-(4-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine, 1-(4-chlorophenyl)-4-(3,4-dimethoxybenzyl)piperazine, AB00077307-01
| Molecular Formula | C19H23ClN2O2 |
| Molecular Weight | 346.1448 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1448 Da |
| Heavy Atoms | 24 |
| Complexity | 368.0 |
| SMILES | COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=C(C=C3)Cl)OC |
| InChIKey | YUPHNDJYJVROCT-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.9 Ų, 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine 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 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine is 63978-30-3.
The molecular formula of 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine is C19H23ClN2O2.
The molecular weight of 1-(3,4-Dimethoxybenzyl)-4-(4-chlorophenyl)piperazine is 346.1448 g/mol.
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