TL;DR: Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl- (CAS 110525-51-4) is a chemical compound with molecular formula C20H27N3O and molecular weight 325.21542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dimethylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
Also Known As: Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl-, 1-(4-(2,5-Dimethyl-1-pyrrolyl)butyryl)-4-phenylpiperazine, Piperazine, 1-(4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-oxobutyl)-4-phenyl-, 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one, 4-(2,5-dimethylpyrrol-1-yl)-1-(4-phenylpiperazin-1-yl)butan-1-one
| Molecular Formula | C20H27N3O |
| Molecular Weight | 325.21542 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.21542 Da |
| Heavy Atoms | 24 |
| Complexity | 390.0 |
| SMILES | CC1=CC=C(N1CCCC(=O)N2CCN(CC2)C3=CC=CC=C3)C |
| InChIKey | VWVPPKQXLZWRQO-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl-. With a topological polar surface area (TPSA) of 28.5 Ų, Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl- has 0 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 Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl- is 110525-51-4.
The molecular formula of Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl- is C20H27N3O.
The molecular weight of Piperazine, 1-(4-(2,5-dimethyl-1-pyrrolyl)butyryl)-4-phenyl- is 325.21542 g/mol.
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