TL;DR: Piperazine, 1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl- (CAS 138222-78-3) is a chemical compound with molecular formula C18H25N3 and molecular weight 283.20483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpiperazine
Also Known As: Pyrrole der., Piperazine, 1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl-, 1-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl]-4-methylpiperazine, 1-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyl]-4-methyl-piperazine, 1-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-4-methylpiperazine
| Molecular Formula | C18H25N3 |
| Molecular Weight | 283.20483 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 11.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.20483 Da |
| Heavy Atoms | 21 |
| Complexity | 318.0 |
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)CN3CCN(CC3)C |
| InChIKey | MPMBGJXTJXFPSL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl-. With a topological polar surface area (TPSA) of 11.4 Ų, Piperazine, 1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl- 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-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl- is 138222-78-3.
The molecular formula of Piperazine, 1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl- is C18H25N3.
The molecular weight of Piperazine, 1-((2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methyl)-4-methyl- is 283.20483 g/mol.
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