TL;DR: 1-(4-Methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride (CAS 1052529-01-7) is a chemical compound with molecular formula C17H27ClN2O3 and molecular weight 342.17102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylpiperazin-1-yl)propan-2-yl 2-(2-methylphenoxy)acetate;hydrochloride
Also Known As: 1-(4-methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride, 1-(4-methylpiperazin-1-yl)propan-2-yl 2-(2-methylphenoxy)acetate hydrochloride, REGID_for_CID_6602707
| Molecular Formula | C17H27ClN2O3 |
| Molecular Weight | 342.17102 g/mol |
| XLogP | 1.97472 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.17102 Da |
| Heavy Atoms | 23 |
| Complexity | 343.0 |
| SMILES | CC1=CC=CC=C1OCC(=O)OC(C)CN2CCN(CC2)C.Cl |
| InChIKey | ILZTWVJQORCVLB-UHFFFAOYSA-N |
The XLogP value of 1.97472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride. With a topological polar surface area (TPSA) of 42.0 Ų, 1-(4-Methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride is 1052529-01-7.
The molecular formula of 1-(4-Methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride is C17H27ClN2O3.
The molecular weight of 1-(4-Methylpiperazin-1-yl)propan-2-yl 2-(o-tolyloxy)acetate hydrochloride is 342.17102 g/mol.
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