N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide
TL;DR: N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide (CAS 80281-60-3) is a chemical compound with molecular formula C18H28N4O2 and molecular weight 332.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide
Also Known As: N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide, N-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidami
| Molecular Formula | C18H28N4O2 |
|---|---|
| Molecular Weight | 332.22 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.22122 |
| Heavy Atoms | 24 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 80281-60-3 |
|---|---|
| SMILES | CC(C)(C)N=C(CCN1CCCCC1)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SIKWSKGHHXKEGK-UHFFFAOYSA-N |
Product Overview
N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide (CAS 80281-60-3), with molecular formula C18H28N4O2 and molecular weight 332.22 g/mol. IUPAC: N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide.
Chemical Property Profile of N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide
Property Insights of N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide. Following Lipinski's Rule of Five, N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide 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 N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide?
The CAS number of N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide is 80281-60-3.
What is the molecular formula of N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide?
The molecular formula of N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide is C18H28N4O2.
What is the molecular weight of N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide?
The molecular weight of N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide is 332.22 g/mol.
Where can I buy N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide?
You can request a quote for N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide?
Yes, KEHONG BIO provides custom synthesis services for N'-tert-butyl-N-(4-nitrophenyl)-3-piperidin-1-ylpropanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.