3-Nitrophenyl piperidine-1-carboxylate
TL;DR: 3-Nitrophenyl piperidine-1-carboxylate (CAS 501104-92-3) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) piperidine-1-carboxylate
Also Known As: 3-nitrophenyl piperidine-1-carboxylate, 3-nitrophenyl piperidinecarboxylate, 3-nitrophenyl 1-piperidinecarboxylate, m-nitrophenyl 1-piperidinecarboxylate, (3-nitrophenyl) piperidine-1-carboxylate
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 2.5795 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 455.14557 |
Chemical Identifiers
| CAS Number | 501104-92-3 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-] |
Product Overview
3-Nitrophenyl piperidine-1-carboxylate (CAS 501104-92-3), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: (3-nitrophenyl) piperidine-1-carboxylate.
Chemical Property Profile of 3-Nitrophenyl piperidine-1-carboxylate
Property Insights of 3-Nitrophenyl piperidine-1-carboxylate
The XLogP value of 2.5795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrophenyl piperidine-1-carboxylate. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrophenyl piperidine-1-carboxylate. Following Lipinski's Rule of Five, 3-Nitrophenyl 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 3-Nitrophenyl piperidine-1-carboxylate?
The CAS number of 3-Nitrophenyl piperidine-1-carboxylate is 501104-92-3.
What is the molecular formula of 3-Nitrophenyl piperidine-1-carboxylate?
The molecular formula of 3-Nitrophenyl piperidine-1-carboxylate is C12H14N2O4.
What is the molecular weight of 3-Nitrophenyl piperidine-1-carboxylate?
The molecular weight of 3-Nitrophenyl piperidine-1-carboxylate is 250.10 g/mol.
Where can I buy 3-Nitrophenyl piperidine-1-carboxylate?
You can request a quote for 3-Nitrophenyl 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 3-Nitrophenyl piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrophenyl piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.