![1-[(4-Nitrophenyl)acetyl]piperidine structure](/static/products/1050/105072-35-3.webp)
1-[(4-Nitrophenyl)acetyl]piperidine
TL;DR: 1-[(4-Nitrophenyl)acetyl]piperidine (CAS 105072-35-3) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
Also Known As: 1-[(4-nitrophenyl)acetyl]piperidine, 2-(4-nitrophenyl)-1-(piperidin-1-yl)ethanone, Piperidine, 1-[(4-nitrophenyl)acetyl]-, 2-(4-nitrophenyl)-1-piperidin-1-ylethanone, 1-(4-Nitrophenyl)acetylpiperidine
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 2.1498 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 436.0545 |
Chemical Identifiers
| CAS Number | 105072-35-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1-[(4-Nitrophenyl)acetyl]piperidine (CAS 105072-35-3), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 2-(4-nitrophenyl)-1-piperidin-1-ylethanone.
Chemical Property Profile of 1-[(4-Nitrophenyl)acetyl]piperidine
Property Insights of 1-[(4-Nitrophenyl)acetyl]piperidine
The XLogP value of 2.1498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Nitrophenyl)acetyl]piperidine. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Nitrophenyl)acetyl]piperidine. Following Lipinski's Rule of Five, 1-[(4-Nitrophenyl)acetyl]piperidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[(4-Nitrophenyl)acetyl]piperidine?
The CAS number of 1-[(4-Nitrophenyl)acetyl]piperidine is 105072-35-3.
What is the molecular formula of 1-[(4-Nitrophenyl)acetyl]piperidine?
The molecular formula of 1-[(4-Nitrophenyl)acetyl]piperidine is C13H16N2O3.
What is the molecular weight of 1-[(4-Nitrophenyl)acetyl]piperidine?
The molecular weight of 1-[(4-Nitrophenyl)acetyl]piperidine is 248.12 g/mol.
Where can I buy 1-[(4-Nitrophenyl)acetyl]piperidine?
You can request a quote for 1-[(4-Nitrophenyl)acetyl]piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Nitrophenyl)acetyl]piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Nitrophenyl)acetyl]piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.