TL;DR: (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride (CAS 1049733-72-3) is a chemical compound with molecular formula C22H27ClN2O and molecular weight 370.18118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-(2,2-dimethyl-1,3-dihydrobenzo[f]isoquinolin-4-ylidene)-1-piperidin-1-ylethanone;hydrochloride
Also Known As: (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride, 2-[2,2-Dimethyl-2,3-dihydro-1H-benzo[f]isoquinolin-(4Z)-ylidene]-1-piperidin-1-yl-ethanone
| Molecular Formula | C22H27ClN2O |
| Molecular Weight | 370.18118 g/mol |
| XLogP | 4.5393 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 370.18118 Da |
| Heavy Atoms | 26 |
| Complexity | 532.0 |
| SMILES | CC1(CC2=C(C=CC3=CC=CC=C23)/C(=C/C(=O)N4CCCCC4)/N1)C.Cl |
| InChIKey | IXHPLLWBEWVVTF-VSOKSMTPSA-N |
The XLogP value of 4.5393 indicates that (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride is 1049733-72-3.
The molecular formula of (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride is C22H27ClN2O.
The molecular weight of (Z)-2-(2,2-dimethyl-2,3-dihydrobenzo[f]isoquinolin-4(1H)-ylidene)-1-(piperidin-1-yl)ethanone hydrochloride is 370.18118 g/mol.
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