TL;DR: Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- (CAS 15139-06-7) is a chemical compound with molecular formula C16H17F3N4 and molecular weight 322.14053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-3-amine
Also Known As: Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, 5-23-03-00096 (Beilstein Handbook Reference), 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyridin-3-amine, 1-(3-Amino-4-pyridyl)-4-(m-trifluoromethylphenyl)piperazine, 4-(m-Trifluoromethylphenyl)-1-(3-amino-4-pyridyl)piperazine
| Molecular Formula | C16H17F3N4 |
| Molecular Weight | 322.14053 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 45.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.14053 Da |
| Heavy Atoms | 23 |
| Complexity | 382.0 |
| SMILES | C1CN(CCN1C2=C(C=NC=C2)N)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | KBWWNIUCIOYWAE-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-. With a topological polar surface area (TPSA) of 45.4 Ų, Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 15139-06-7.
The molecular formula of Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- is C16H17F3N4.
The molecular weight of Piperazine, 1-(3-amino-4-pyridyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)- is 322.14053 g/mol.
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