TL;DR: 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CAS 1415587-74-4) is a chemical compound with molecular formula C20H23FN2 and molecular weight 310.18454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
Also Known As: BAS 00638556, 1-cinnamyl-4-(3-fluorobenzyl)piperazine, 1-(3-Fluoro-benzyl)-4-(3-phenyl-allyl)-piperazine, 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine, 1-(3-fluorobenzyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
| Molecular Formula | C20H23FN2 |
| Molecular Weight | 310.18454 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 310.18454 Da |
| Heavy Atoms | 23 |
| Complexity | 357.0 |
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)CC3=CC(=CC=C3)F |
| InChIKey | OVBRPLFRBHHIEZ-WEVVVXLNSA-N |
The XLogP value of 3.8 indicates that 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]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-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is 1415587-74-4.
The molecular formula of 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is C20H23FN2.
The molecular weight of 1-[(3-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is 310.18454 g/mol.
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