TL;DR: 2-(2,4-Dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one (CAS 1005243-18-4) is a chemical compound with molecular formula C16H21Cl2NO2 and molecular weight 329.09494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
Also Known As: 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one, 2-(2,4-dichlorophenoxy)-1-(3,5-dimethylpiperidyl)propan-1-one
| Molecular Formula | C16H21Cl2NO2 |
| Molecular Weight | 329.09494 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.09494 Da |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
| SMILES | CC1CC(CN(C1)C(=O)C(C)OC2=C(C=C(C=C2)Cl)Cl)C |
| InChIKey | MVPZIIXKEANFCY-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 2-(2,4-Dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 2-(2,4-Dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(2,4-Dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is 1005243-18-4.
The molecular formula of 2-(2,4-Dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is C16H21Cl2NO2.
The molecular weight of 2-(2,4-Dichlorophenoxy)-1-(3,5-dimethylpiperidin-1-yl)propan-1-one is 329.09494 g/mol.
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