4-(2-Nitroxyethyl)piperidine
TL;DR: 4-(2-Nitroxyethyl)piperidine (CAS 129999-77-5) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-piperidin-4-ylethyl nitrate
Also Known As: 4-(2-Nitroxyethyl)piperidine, 2-piperidin-4-ylethyl nitrate, 2-(piperidin-4-yl)ethyl nitrate, 4-(2-nitroxyethyl)-piperidine, 4-Piperidineethanol, nitrate (ester)
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 129999-77-5 |
|---|---|
| SMILES | C1CNCCC1CCO[N+](=O)[O-] |
| InChIKey | CBGXVHOGJBNZLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Nitroxyethyl)piperidine (CAS 129999-77-5), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: 2-piperidin-4-ylethyl nitrate.
Chemical Property Profile of 4-(2-Nitroxyethyl)piperidine
Property Insights of 4-(2-Nitroxyethyl)piperidine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Nitroxyethyl)piperidine. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Nitroxyethyl)piperidine. Following Lipinski's Rule of Five, 4-(2-Nitroxyethyl)piperidine has 1 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 4-(2-Nitroxyethyl)piperidine?
The CAS number of 4-(2-Nitroxyethyl)piperidine is 129999-77-5.
What is the molecular formula of 4-(2-Nitroxyethyl)piperidine?
The molecular formula of 4-(2-Nitroxyethyl)piperidine is C7H14N2O3.
What is the molecular weight of 4-(2-Nitroxyethyl)piperidine?
The molecular weight of 4-(2-Nitroxyethyl)piperidine is 174.10 g/mol.
Where can I buy 4-(2-Nitroxyethyl)piperidine?
You can request a quote for 4-(2-Nitroxyethyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Nitroxyethyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Nitroxyethyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.