TL;DR: Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl- (CAS 136819-00-6) is a chemical compound with molecular formula C20H28N4O and molecular weight 340.22632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]methyl]-2,6-dimethylphenol
Also Known As: Piperazine deriv., Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl-, N-((3,5-Dimethyl-4-hydroxyphenyl)methyl)-N'-(3-ethylamino-2-pyridinyl)piperazine, 4-({4-[3-(ETHYLAMINO)PYRIDIN-2-YL]PIPERAZIN-1-YL}METHYL)-2,6-DIMETHYLPHENOL, 4-[[4-[3-(ethylamino)-2-pyridyl]piperazin-1-yl]methyl]-2,6-dimethyl-phenol
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H28N4O |
| Molecular Weight | 340.22632 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.22632 Da |
| Heavy Atoms | 25 |
| Complexity | 387.0 |
| SMILES | CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)C)O)C |
| InChIKey | VAMZJJLNVAPDHG-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl- has 2 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 Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl- is 136819-00-6.
The molecular formula of Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl- is C20H28N4O.
The molecular weight of Phenol, 4-((4-(3-(ethylamino)-2-pyridinyl)-1-piperazinyl)methyl)-2,6-dimethyl- is 340.22632 g/mol.
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