TL;DR: Piperazine, 1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)- (CAS 63978-40-5) is a chemical compound with molecular formula C18H23N3O2 and molecular weight 313.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
Also Known As: 1-(3,4-Dimethoxybenzyl)-4-(2-pyridyl)piperazine, KST-1B6998, 1-(3,4-Dimethoxybenzyl)-4-(2-pyridinyl)piperazine, 5-23-03-00039 (Beilstein Handbook Reference), Piperazine, 1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)-
| Molecular Formula | C18H23N3O2 |
| Molecular Weight | 313.17902 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 37.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.17902 Da |
| Heavy Atoms | 23 |
| Complexity | 347.0 |
| SMILES | COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=N3)OC |
| InChIKey | SWIHAXIVHRTFQL-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)-. With a topological polar surface area (TPSA) of 37.8 Ų, Piperazine, 1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)- has 0 hydrogen bond donor(s) and 5 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-(2-pyridyl)- is 63978-40-5.
The molecular formula of Piperazine, 1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)- is C18H23N3O2.
The molecular weight of Piperazine, 1-(3,4-dimethoxybenzyl)-4-(2-pyridyl)- is 313.17902 g/mol.
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