TL;DR: 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine (CAS 1545468-40-3) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
Also Known As: 4-Methyl-N-(4-nitrobenzylidene)piperazin-1-amine, N-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine, (E)-N-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine, 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine
| Molecular Formula | C12H16N4O2 |
| Molecular Weight | 248.12732 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.12732 Da |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
| SMILES | CN1CCN(CC1)/N=C/C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | YDPFSXYUVXYZIP-JLHYYAGUSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine. Following Lipinski's Rule of Five, 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine 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 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine is 1545468-40-3.
The molecular formula of 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine is C12H16N4O2.
The molecular weight of 4-methyl-N-[(E)-(4-nitrophenyl)methylidene]piperazin-1-amine is 248.12732 g/mol.
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