TL;DR: N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate (CAS 1048365-67-8) is a chemical compound with molecular formula C21H27N3O4 and molecular weight 385.20016 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine;oxalic acid
Also Known As: N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate, N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine; oxalic acid, IUPAC: N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine; Oxalic Acid
| Molecular Formula | C21H27N3O4 |
| Molecular Weight | 385.20016 g/mol |
| XLogP | 2.3336 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.20016 Da |
| Heavy Atoms | 28 |
| Complexity | 377.0 |
| SMILES | CN(CC1=CC=CC=C1)C2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | CGPMXUMKQIWZKU-UHFFFAOYSA-N |
The XLogP value of 2.3336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate. The TPSA of 94.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate. Following Lipinski's Rule of Five, N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate is 1048365-67-8.
The molecular formula of N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate is C21H27N3O4.
The molecular weight of N-benzyl-N-methyl-1-(pyridin-3-ylmethyl)piperidin-4-amine oxalate is 385.20016 g/mol.
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