(1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate
TL;DR: (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate (CAS 1164557-62-3) is a chemical compound with molecular formula C24H28N2O5 and molecular weight 424.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1-benzylpiperidin-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone;oxalic acid
Also Known As: (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate, (1-Benzyl-piperidin-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone
Technical Specifications
| Molecular Formula | C24H28N2O5 |
| Molecular Weight | 424.19983 g/mol |
| XLogP | 2.6391 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.19983 Da |
| Heavy Atoms | 31 |
| Complexity | 517.0 |
| SMILES | C1CC(CN(C1)CC2=CC=CC=C2)C(=O)N3CCC4=CC=CC=C4C3.C(=O)(C(=O)O)O |
| InChIKey | CVFPITPMXFHTMU-UHFFFAOYSA-N |
Chemical Property Profile of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate
Property Insights of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate
The XLogP value of 2.6391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate. Following Lipinski's Rule of Five, (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate?
The CAS number of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate is 1164557-62-3.
What is the molecular formula of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate?
The molecular formula of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate is C24H28N2O5.
What is the molecular weight of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate?
The molecular weight of (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate is 424.19983 g/mol.
Where can I buy (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate?
You can request a quote for (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate?
Yes, CoreyChem provides custom synthesis services for (1-benzylpiperidin-3-yl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.