TL;DR: 1-Methyl-4-(pyridin-2-ylmethyl)piperazine (CAS 100158-57-4) is a chemical compound with molecular formula C11H17N3 and molecular weight 191.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-4-(pyridin-2-ylmethyl)piperazine
Also Known As: 1-methyl-4-(pyridin-2-ylmethyl)piperazine, 2-(4-Methylpiperazinomethyl)pyridine, 1-methyl-4-[(pyridin-2-yl)methyl]piperazine, Piperazine, 1-methyl-4-(2-pyridinylmethyl)-, 1-methyl-4-(1-(pyridin-2-yl)ethyl)piperazine
| Molecular Formula | C11H17N3 |
| Molecular Weight | 191.14224 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.14224 Da |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
| SMILES | CN1CCN(CC1)CC2=CC=CC=N2 |
| InChIKey | OQTGVUOABUAUIJ-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(pyridin-2-ylmethyl)piperazine. With a topological polar surface area (TPSA) of 19.4 Ų, 1-Methyl-4-(pyridin-2-ylmethyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(pyridin-2-ylmethyl)piperazine 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 1-Methyl-4-(pyridin-2-ylmethyl)piperazine is 100158-57-4.
The molecular formula of 1-Methyl-4-(pyridin-2-ylmethyl)piperazine is C11H17N3.
The molecular weight of 1-Methyl-4-(pyridin-2-ylmethyl)piperazine is 191.14224 g/mol.
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