TL;DR: 1-(2,3-Dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine (CAS 1024543-95-0) is a chemical compound with molecular formula C18H23N3 and molecular weight 281.1892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,3-dimethylphenyl)-4-(pyridin-2-ylmethyl)piperazine
Also Known As: 1-(2,3-dimethylphenyl)-4-(pyridin-2-ylmethyl)piperazine, 1-(2,3-dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine
| Molecular Formula | C18H23N3 |
| Molecular Weight | 281.1892 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 19.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1892 Da |
| Heavy Atoms | 21 |
| Complexity | 312.0 |
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC=CC=N3)C |
| InChIKey | JDUCHYZAIQXSFV-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1-(2,3-Dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 19.4 Ų, 1-(2,3-Dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-Dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,3-Dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine is 1024543-95-0.
The molecular formula of 1-(2,3-Dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine is C18H23N3.
The molecular weight of 1-(2,3-Dimethylphenyl)-4-[(pyridin-2-yl)methyl]piperazine is 281.1892 g/mol.
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