TL;DR: 2-[3-(4-Methylpiperazin-1-yl)propoxy]benzaldehyde (CAS 112562-63-7) is a chemical compound with molecular formula C15H22N2O2 and molecular weight 262.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde
Also Known As: 2-[3-(4-methylpiperazin-1-yl)propoxy]benzaldehyde, 2-[3-(4-Methyl-1-piperazinyl)propoxy]benzaldehyde, Y-2000, 2-(3-(4-Methylpiperazin-1-yl)propoxy)benzaldehyde oxalate, 2-[3-(4-METHYL-1-PIPERAZINYL)PROPOXY]BENZALDEHYDE OXALATE
| Molecular Formula | C15H22N2O2 |
| Molecular Weight | 262.16812 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.16812 Da |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
| SMILES | CN1CCN(CC1)CCCOC2=CC=CC=C2C=O |
| InChIKey | JGLHGBUSDDCFKB-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Methylpiperazin-1-yl)propoxy]benzaldehyde. With a topological polar surface area (TPSA) of 32.8 Ų, 2-[3-(4-Methylpiperazin-1-yl)propoxy]benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Methylpiperazin-1-yl)propoxy]benzaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[3-(4-Methylpiperazin-1-yl)propoxy]benzaldehyde is 112562-63-7.
The molecular formula of 2-[3-(4-Methylpiperazin-1-yl)propoxy]benzaldehyde is C15H22N2O2.
The molecular weight of 2-[3-(4-Methylpiperazin-1-yl)propoxy]benzaldehyde is 262.16812 g/mol.
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