TL;DR: Bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone (CAS 1005268-03-0) is a chemical compound with molecular formula C19H23F3N2O and molecular weight 352.17624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: 3-bicyclo[2.2.1]heptanyl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone, bicyclo[2.2.1]hept-2-yl{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone, bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone, BICYCLO[2.2.1]HEPT-2-YL{4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE
| Molecular Formula | C19H23F3N2O |
| Molecular Weight | 352.17624 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.17624 Da |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
| SMILES | C1CC2CC1CC2C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
| InChIKey | NUGNDGUTWSCSFP-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, Bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone is 1005268-03-0.
The molecular formula of Bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone is C19H23F3N2O.
The molecular weight of Bicyclo[2.2.1]hept-2-yl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone is 352.17624 g/mol.
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