4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide
TL;DR: 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide (CAS 102071-59-0) is a chemical compound with molecular formula C20H31BrN2O4 and molecular weight 442.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(6-nitrohexyl)-4-phenylpiperidin-4-yl] propanoate;hydrobromide
Also Known As: 1-(6-Nitrohexyl)4-acetoxy-4-phenylpiperidine hydrobromide, 1-(6-Nitrohexyl)-4-phenyl-4-piperidinol propionate (ester) hydrobromide, 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide, [1-(6-nitrohexyl)-4-phenylpiperidin-4-yl] propanoate hydrobromide, 1-(6-Nitrohexyl)-4-phenylpiperidin-4-yl propanoate--hydrogen bromide (1/1)
| Molecular Formula | C20H31BrN2O4 |
|---|---|
| Molecular Weight | 442.15 g/mol |
| LogP | 4.3459 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.14673 |
| Heavy Atoms | 27 |
| Complexity | 574.60425 |
Chemical Identifiers
| CAS Number | 102071-59-0 |
|---|---|
| SMILES | CCC(=O)OC1(CCN(CC1)CCCCCC[N+](=O)[O-])C2=CC=CC=C2.Br |
Product Overview
4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide (CAS 102071-59-0), with molecular formula C20H31BrN2O4 and molecular weight 442.15 g/mol. IUPAC: [1-(6-nitrohexyl)-4-phenylpiperidin-4-yl] propanoate;hydrobromide.
Chemical Property Profile of 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide
Property Insights of 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide
The XLogP value of 4.3459 indicates that 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide. Following Lipinski's Rule of Five, 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide 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 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide?
The CAS number of 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide is 102071-59-0.
What is the molecular formula of 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide?
The molecular formula of 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide is C20H31BrN2O4.
What is the molecular weight of 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide?
The molecular weight of 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide is 442.15 g/mol.
Where can I buy 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide?
You can request a quote for 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 1-(6-nitrohexyl)-4-phenyl-, propionate (ester), hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.