TL;DR: Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)- (CAS 105919-44-6) is a chemical compound with molecular formula C16H18F3NO and molecular weight 297.13406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-methylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
Also Known As: 4-Methyl-1-(4-trifluoromethylcinnamoyl)piperidine, Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)-, 4-Methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)piperidine, (E)-1-(4-methylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
| Molecular Formula | C16H18F3NO |
| Molecular Weight | 297.13406 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.13406 Da |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
| SMILES | CC1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | AJBBFQVZSXETHQ-QPJJXVBHSA-N |
The XLogP value of 4.1 indicates that Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)- has 0 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 Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)- is 105919-44-6.
The molecular formula of Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)- is C16H18F3NO.
The molecular weight of Piperidine, 4-methyl-1-(1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)- is 297.13406 g/mol.
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