TL;DR: 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine (CAS 1047-76-3) is a chemical compound with molecular formula C19H21ClN2O2 and molecular weight 344.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine
Also Known As: 5-23-02-00531 (Beilstein Handbook Reference), 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine, Piperazine, 1-(4-chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-, 1-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazine, 1-(4-Chlorophenyl)-4-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperazine
| Molecular Formula | C19H21ClN2O2 |
| Molecular Weight | 344.12915 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 24.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.12915 Da |
| Heavy Atoms | 24 |
| Complexity | 395.0 |
| SMILES | C1CN(CCN1CC2COC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl |
| InChIKey | NNHVEJLXLGNXSU-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-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 24.9 Ų, 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine is 1047-76-3.
The molecular formula of 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine is C19H21ClN2O2.
The molecular weight of 1-(4-Chlorophenyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)methyl)piperazine is 344.12915 g/mol.
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