TL;DR: Piperazine, 1-benzyl-4-(2-pyridyl)- (CAS 63980-42-7) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.1579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-4-pyridin-2-ylpiperazine
Also Known As: 2-(4-Benzylpiperazino)pyridine, 1-Benzyl-4-(2-pyridyl)piperazine, 1-benzyl-4-(pyridin-2-yl)piperazine, Piperazine, 1-benzyl-4-(2-pyridyl)-, 1-Benzyl-4-(2-pyridinyl)piperazine
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H19N3 |
| Molecular Weight | 253.1579 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.1579 Da |
| Heavy Atoms | 19 |
| Complexity | 255.0 |
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=CC=CC=N3 |
| InChIKey | PPZUTXLPTNQOFF-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-benzyl-4-(2-pyridyl)-. With a topological polar surface area (TPSA) of 19.4 Ų, Piperazine, 1-benzyl-4-(2-pyridyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-benzyl-4-(2-pyridyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-benzyl-4-(2-pyridyl)- is 63980-42-7.
The molecular formula of Piperazine, 1-benzyl-4-(2-pyridyl)- is C16H19N3.
The molecular weight of Piperazine, 1-benzyl-4-(2-pyridyl)- is 253.1579 g/mol.
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