Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate
TL;DR: Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate (CAS 7595-60-0) 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.
methyl 1-(4-nitrophenyl)piperidine-4-carboxylate
Also Known As: methyl 1-(4-nitrophenyl)piperidine-4-carboxylate, methyl 1-(4-nitrophenyl)-4-piperidinecarboxylate, methylnitrophenylpiperidinecarboxylate, methyl1-(4-nitrophenyl)piperidine-4-carboxylate, methyl 1-(4-nitrophenyl)-4-piperidinecarboxy-late
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 7595-60-0 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | HKORQLPDNXLTAL-UHFFFAOYSA-N |
Product Overview
Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate (CAS 7595-60-0), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: methyl 1-(4-nitrophenyl)piperidine-4-carboxylate.
Chemical Property Profile of Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate
Property Insights of Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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 Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate?
The CAS number of Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate is 7595-60-0.
What is the molecular formula of Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate?
The molecular formula of Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate is C13H16N2O4.
What is the molecular weight of Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate?
The molecular weight of Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate is 264.11 g/mol.
Where can I buy Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate?
You can request a quote for Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-nitrophenyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.