TL;DR: 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride (CAS 42773-88-6) is a chemical compound with molecular formula C21H25ClN2O and molecular weight 356.16553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-3H-indol-2-one chloride
Also Known As: 1,3-Dihydro-3-phenyl-1-(2-piperidinoethyl)-2H-indol-2-one hydrochloride, 3-phenyl-1-(2-piperidin-1-ium-1-ylethyl)-3H-indol-2-one chloride, 2H-INDOL-2-ONE, 1,3-DIHYDRO-3-PHENYL-1-(2-PIPERIDINOETHYL)-, MONOHYDROCHLORIDE
| Molecular Formula | C21H25ClN2O |
| Molecular Weight | 356.16553 g/mol |
| XLogP | -0.76 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.16553 Da |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
| SMILES | C1CC[NH+](CC1)CCN2C3=CC=CC=C3C(C2=O)C4=CC=CC=C4.[Cl-] |
| InChIKey | GIUFFUCZSHAYDI-UHFFFAOYSA-N |
The XLogP value of -0.76 indicates that 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride 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 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride is 42773-88-6.
The molecular formula of 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride is C21H25ClN2O.
The molecular weight of 2H-Indol-2-one, 1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-, monohydrochloride is 356.16553 g/mol.
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