TL;DR: (1-Methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride (CAS 80842-08-6) is a chemical compound with molecular formula C15H21Cl2NO3 and molecular weight 333.08984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate;hydrochloride
Also Known As: aceticacid methylesterhydrochloride, (1-methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride, (1-methyl-3-piperidinyl)methyl(4-chlorophenoxy)acetate hydrochloride, (1-Methylpiperidin-3-yl)methyl (4-chlorophenoxy)acetate--hydrogen chloride (1/1)
| Molecular Formula | C15H21Cl2NO3 |
| Molecular Weight | 333.08984 g/mol |
| XLogP | 3.0256 |
| Topological Polar Surface Area (TPSA) | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.08984 Da |
| Heavy Atoms | 21 |
| Complexity | 305.0 |
| SMILES | CN1CCCC(C1)COC(=O)COC2=CC=C(C=C2)Cl.Cl |
| InChIKey | JHJOZTMFSDMYCE-UHFFFAOYSA-N |
The XLogP value of 3.0256 indicates that (1-Methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.0 Ų, (1-Methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride has 1 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 (1-Methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride is 80842-08-6.
The molecular formula of (1-Methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride is C15H21Cl2NO3.
The molecular weight of (1-Methylpiperidin-3-yl)methyl 2-(4-chlorophenoxy)acetate hydrochloride is 333.08984 g/mol.
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