TL;DR: Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)- (CAS 107534-99-6) is a chemical compound with molecular formula C13H17N and molecular weight 187.1361 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-1-methyl-3,6-dihydro-2H-pyridine
Also Known As: 5-benzyl-1-methyl-1,2,3,6-tetrahydropyridine, 3-benzyl-1-methyl-5,6-dihydro-2H-pyridine, 5-benzyl-1-methyl-3,6-dihydro-2H-pyridine, Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)-, 1-Methyl-5-benzyl-1,2,3,6-tetrahydropyridine
| Molecular Formula | C13H17N |
| Molecular Weight | 187.1361 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.1361 Da |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
| SMILES | CN1CCC=C(C1)CC2=CC=CC=C2 |
| InChIKey | LVKFSWKDSDSQHU-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)-. With a topological polar surface area (TPSA) of 3.2 Ų, Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)- is 107534-99-6.
The molecular formula of Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)- is C13H17N.
The molecular weight of Pyridine, 1,2,3,6-tetrahydro-1-methyl-5-(phenylmethyl)- is 187.1361 g/mol.
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