TL;DR: 1-(4-Chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine (CAS 1399658-94-6) is a chemical compound with molecular formula C17H18ClN3O3 and molecular weight 347.10367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine
Also Known As: 1-(4-chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine, 1-(4-Chloro-2-nitro-phenyl)-4-(2-methoxy-phenyl)-piperazine
| Molecular Formula | C17H18ClN3O3 |
| Molecular Weight | 347.10367 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 61.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.10367 Da |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | LZSGVYRVXQSGAA-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1-(4-Chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine. Following Lipinski's Rule of Five, 1-(4-Chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine is 1399658-94-6.
The molecular formula of 1-(4-Chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine is C17H18ClN3O3.
The molecular weight of 1-(4-Chloro-2-nitrophenyl)-4-(2-methoxyphenyl)piperazine is 347.10367 g/mol.
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