TL;DR: [4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CAS 1005046-56-9) is a chemical compound with molecular formula C20H26N2O2 and molecular weight 326.19943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
Also Known As: [4-(5-bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone|[4-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)piperazin-1-yl](3-methoxyphenyl)methanone|1-{bicyclo[2.2.1]hept-5-en-2-ylmethyl}-4-(3-methoxybenzoyl)piperazine|[4-(6-bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone|[4-(BICYCLO[2.2.1]HEPT-5-EN-2-YLMETHYL)PIPERAZINO](3-METHOXYPHENYL)METHANONE|STK211894
| Molecular Formula | C20H26N2O2 |
| Molecular Weight | 326.19943 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.19943 Da |
| Heavy Atoms | 24 |
| Complexity | 484.0 |
| SMILES | COC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC3CC4CC3C=C4 |
| InChIKey | HVAVOXHNZSHXEB-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone. With a topological polar surface area (TPSA) of 32.8 Ų, [4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone 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 [4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is 1005046-56-9.
The molecular formula of [4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is C20H26N2O2.
The molecular weight of [4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is 326.19943 g/mol.
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