4-Nitro-2-(piperidin-1-yliminomethyl)phenol
TL;DR: 4-Nitro-2-(piperidin-1-yliminomethyl)phenol (CAS 91643-76-4) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-(piperidin-1-yliminomethyl)phenol
Also Known As: (6E)-4-nitro-6-[(piperidin-1-ylamino)methylidene]cyclohexa-2
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 91643-76-4 |
|---|---|
| SMILES | C1CCN(CC1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])O |
| InChIKey | ONZLJAXIAZKLQL-UHFFFAOYSA-N |
Product Overview
4-Nitro-2-(piperidin-1-yliminomethyl)phenol (CAS 91643-76-4), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: 4-nitro-2-(piperidin-1-yliminomethyl)phenol.
Chemical Property Profile of 4-Nitro-2-(piperidin-1-yliminomethyl)phenol
Property Insights of 4-Nitro-2-(piperidin-1-yliminomethyl)phenol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-(piperidin-1-yliminomethyl)phenol. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-(piperidin-1-yliminomethyl)phenol. Following Lipinski's Rule of Five, 4-Nitro-2-(piperidin-1-yliminomethyl)phenol has 1 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-Nitro-2-(piperidin-1-yliminomethyl)phenol?
The CAS number of 4-Nitro-2-(piperidin-1-yliminomethyl)phenol is 91643-76-4.
What is the molecular formula of 4-Nitro-2-(piperidin-1-yliminomethyl)phenol?
The molecular formula of 4-Nitro-2-(piperidin-1-yliminomethyl)phenol is C12H15N3O3.
What is the molecular weight of 4-Nitro-2-(piperidin-1-yliminomethyl)phenol?
The molecular weight of 4-Nitro-2-(piperidin-1-yliminomethyl)phenol is 249.11 g/mol.
Where can I buy 4-Nitro-2-(piperidin-1-yliminomethyl)phenol?
You can request a quote for 4-Nitro-2-(piperidin-1-yliminomethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-(piperidin-1-yliminomethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-(piperidin-1-yliminomethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.