TL;DR: 1-(2,5-Dimethyl-benzyl)piperazine (CAS 104481-67-6) is a chemical compound with molecular formula C13H20N2 and molecular weight 204.16264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,5-dimethylphenyl)methyl]piperazine
Also Known As: 1-(2,5-Dimethyl-benzyl)piperazine, 1-(2,5-dimethylbenzyl)piperazine, 1-[(2,5-dimethylphenyl)methyl]piperazine, 1-(2,5-Dimethyl-benzyl)-piperazine, 1-(5-methoxy-2-methylbenzyl)piperazine
| Molecular Formula | C13H20N2 |
| Molecular Weight | 204.16264 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 15.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.16264 Da |
| Heavy Atoms | 15 |
| Complexity | 187.0 |
| SMILES | CC1=CC(=C(C=C1)C)CN2CCNCC2 |
| InChIKey | CFQKZODRQRHNLP-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-Dimethyl-benzyl)piperazine. With a topological polar surface area (TPSA) of 15.3 Ų, 1-(2,5-Dimethyl-benzyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Dimethyl-benzyl)piperazine has 1 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 1-(2,5-Dimethyl-benzyl)piperazine is 104481-67-6.
The molecular formula of 1-(2,5-Dimethyl-benzyl)piperazine is C13H20N2.
The molecular weight of 1-(2,5-Dimethyl-benzyl)piperazine is 204.16264 g/mol.
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