TL;DR: 1-[(4-Ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine (CAS 462613-30-5) is a chemical compound with molecular formula C22H30N2O and molecular weight 338.2358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine
Also Known As: 1-(4-ethoxybenzyl)-4-(3-phenylpropyl)piperazine, 1-[(4-ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine, 4-ethoxy-1-{[4-(3-phenylpropyl)piperazinyl]methyl}benzene
| Molecular Formula | C22H30N2O |
| Molecular Weight | 338.2358 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 15.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.2358 Da |
| Heavy Atoms | 25 |
| Complexity | 340.0 |
| SMILES | CCOC1=CC=C(C=C1)CN2CCN(CC2)CCCC3=CC=CC=C3 |
| InChIKey | QGDLKVOWJFPCBS-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 1-[(4-Ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.7 Ų, 1-[(4-Ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-Ethoxyphenyl)methyl]-4-(3-phenylpropyl)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-[(4-Ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is 462613-30-5.
The molecular formula of 1-[(4-Ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is C22H30N2O.
The molecular weight of 1-[(4-Ethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine is 338.2358 g/mol.
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