2-Nitrobenzyl piperidine-1-carboxylate
TL;DR: 2-Nitrobenzyl piperidine-1-carboxylate (CAS 133795-08-1) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl)methyl piperidine-1-carboxylate
Also Known As: 2-Nitrobenzyl piperidine-1-carboxylate, (2-nitrophenyl)methyl Piperidine-1-carboxylate
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 2.7173 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 469.46594 |
Chemical Identifiers
| CAS Number | 133795-08-1 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-Nitrobenzyl piperidine-1-carboxylate (CAS 133795-08-1), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: (2-nitrophenyl)methyl piperidine-1-carboxylate.
Chemical Property Profile of 2-Nitrobenzyl piperidine-1-carboxylate
Property Insights of 2-Nitrobenzyl piperidine-1-carboxylate
The XLogP value of 2.7173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzyl piperidine-1-carboxylate. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzyl piperidine-1-carboxylate. Following Lipinski's Rule of Five, 2-Nitrobenzyl piperidine-1-carboxylate has 0 hydrogen bond donor(s) and 4 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 2-Nitrobenzyl piperidine-1-carboxylate?
The CAS number of 2-Nitrobenzyl piperidine-1-carboxylate is 133795-08-1.
What is the molecular formula of 2-Nitrobenzyl piperidine-1-carboxylate?
The molecular formula of 2-Nitrobenzyl piperidine-1-carboxylate is C13H16N2O4.
What is the molecular weight of 2-Nitrobenzyl piperidine-1-carboxylate?
The molecular weight of 2-Nitrobenzyl piperidine-1-carboxylate is 264.11 g/mol.
Where can I buy 2-Nitrobenzyl piperidine-1-carboxylate?
You can request a quote for 2-Nitrobenzyl piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzyl piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzyl piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.