TL;DR: Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate (CAS 132144-02-6) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
Also Known As: Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate, Methyl 2-(4-methylpiperazin-1-yl)pyridine-5-carboxylate, Methyl 6-(4-methylpiperazin-1-yl)nicotinate, 3738AD, methyl 6-(4-methyl-1-piperazinyl)nicotinate
| Molecular Formula | C12H17N3O2 |
| Molecular Weight | 235.13208 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 45.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.13208 Da |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
| SMILES | CN1CCN(CC1)C2=NC=C(C=C2)C(=O)OC |
| InChIKey | UQVXHYAVALLCBQ-UHFFFAOYSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 45.7 Ų, Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate 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 Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate is 132144-02-6.
The molecular formula of Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate is C12H17N3O2.
The molecular weight of Methyl 6-(4-methylpiperazin-1-yl)pyridine-3-carboxylate is 235.13208 g/mol.
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