![1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid structure](/static/products/104/1042685-78-8.webp)
1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid
TL;DR: 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid (CAS 1042685-78-8) 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.
1-[(3-nitrophenyl)methyl]piperidine-2-carboxylic acid
Also Known As: 1-[(3-nitrophenyl)methyl]piperidine-2-carboxylic Acid, 1-[(3-nitrophenyl)methyl]-2-piperidinecarboxylic acid
Technical Specifications
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.111 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.111 Da |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
| SMILES | C1CCN(C(C1)C(=O)O)CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | OWNCQZHGAGEWBJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid
Property Insights of 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid
The XLogP value of -0.2 indicates that 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid. Following Lipinski's Rule of Five, 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic 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 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid?
The CAS number of 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid is 1042685-78-8.
What is the molecular formula of 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid?
The molecular formula of 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid is C13H16N2O4.
What is the molecular weight of 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid?
The molecular weight of 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid is 264.111 g/mol.
Where can I buy 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid?
You can request a quote for 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1-[(3-Nitrophenyl)methyl]piperidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.