TL;DR: Acetanilide, 2,2-diphenyl-N-((1-methyl-3-piperidyl)methyl)-, hydriodide (CAS 101651-72-3) is a chemical compound with molecular formula C27H31IN2O and molecular weight 526.14813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(1-methylpiperidin-1-ium-3-yl)methyl]-N,2,2-triphenylacetamide iodide
Also Known As: 2,2-Diphenyl-N-((1-methyl-3-piperidyl)methyl)acetanilide hydriodide, N'-(3-(N-Metil-piperidin)metil)-N'-fenildifenilacetammide iodidrato [Italian], ACETANILIDE, 2,2-DIPHENYL-N-((1-METHYL-3-PIPERIDYL)METHYL)-, HYDRIODIDE, N'-(3-(N-Metil-piperidin)metil)-N'-fenildifenilacetammide iodidrato, N-[(1-methylpiperidin-1-ium-3-yl)methyl]-N,2,2-triphenylacetamide;iodide
| Molecular Formula | C27H31IN2O |
| Molecular Weight | 526.14813 g/mol |
| XLogP | 0.78 |
| Topological Polar Surface Area (TPSA) | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.14813 Da |
| Heavy Atoms | 31 |
| Complexity | 499.0 |
| SMILES | C[NH+]1CCCC(C1)CN(C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[I-] |
| InChIKey | DNHDRCJOMGYUIA-UHFFFAOYSA-N |
The XLogP value of 0.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2,2-diphenyl-N-((1-methyl-3-piperidyl)methyl)-, hydriodide. With a topological polar surface area (TPSA) of 24.8 Ų, Acetanilide, 2,2-diphenyl-N-((1-methyl-3-piperidyl)methyl)-, hydriodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 2,2-diphenyl-N-((1-methyl-3-piperidyl)methyl)-, hydriodide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetanilide, 2,2-diphenyl-N-((1-methyl-3-piperidyl)methyl)-, hydriodide is 101651-72-3.
The molecular formula of Acetanilide, 2,2-diphenyl-N-((1-methyl-3-piperidyl)methyl)-, hydriodide is C27H31IN2O.
The molecular weight of Acetanilide, 2,2-diphenyl-N-((1-methyl-3-piperidyl)methyl)-, hydriodide is 526.14813 g/mol.
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