TL;DR: C22-H25-Cl-N2-O.Cl-H (CAS 16297-40-8) is a chemical compound with molecular formula C22H26Cl2N2O and molecular weight 404.1422 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ium-1-ylpropylidene]benzamide chloride
Also Known As: Benzamide, N-(p-chloro-alpha-(1-methyl-1-piperidinoethyl)benzilidene)-, monohydrochloride, N-(p-Chloro-alpha-(1-methyl-1-piperidinoethyl)benzilidene) benzamide monohydrochloride, N-[1-(4-chlorophenyl)-2-methyl-2-piperidin-1-ium-1-ylpropylidene]benzamide chloride, Benzamide, N-[p-chloro-.alpha.-(1-methyl-1-piperidinoethyl)benzylidene]-, monohydrochloride
| Molecular Formula | C22H26Cl2N2O |
| Molecular Weight | 404.1422 g/mol |
| XLogP | 0.82 |
| Topological Polar Surface Area (TPSA) | 33.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1422 Da |
| Heavy Atoms | 27 |
| Complexity | 496.0 |
| SMILES | CC(C)(C(=NC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)Cl)[NH+]3CCCCC3.[Cl-] |
| InChIKey | KOMGCHZMRNTZGN-UHFFFAOYSA-N |
The XLogP value of 0.82 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22-H25-Cl-N2-O.Cl-H. With a topological polar surface area (TPSA) of 33.9 Ų, C22-H25-Cl-N2-O.Cl-H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22-H25-Cl-N2-O.Cl-H has 1 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 C22-H25-Cl-N2-O.Cl-H is 16297-40-8.
The molecular formula of C22-H25-Cl-N2-O.Cl-H is C22H26Cl2N2O.
The molecular weight of C22-H25-Cl-N2-O.Cl-H is 404.1422 g/mol.
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