2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid
TL;DR: 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid (CAS 1008005-95-5) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid
Also Known As: 2-(4-methylpiperidin-1-yl)-5-nitrobenzoic acid, 5-Nitro-2-(4-methylpiperidin-1-yl)benzoic acid, 2- -5-NITROBENZOICACID, 9686AE, Benzoic acid,2-(4-methyl-1-piperidinyl)-5-nitro-
Technical Specifications
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.111 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.111 Da |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
| SMILES | CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | ISYLQMMLDFSLPI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid
Property Insights of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
The CAS number of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid is 1008005-95-5.
What is the molecular formula of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
The molecular formula of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid is C13H16N2O4.
What is the molecular weight of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
The molecular weight of 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid is 264.111 g/mol.
Where can I buy 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
You can request a quote for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methylpiperidin-1-yl)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.