1-(4-Nitrophenyl)piperidin-4-yl benzoate
TL;DR: 1-(4-Nitrophenyl)piperidin-4-yl benzoate (CAS 339010-12-7) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-nitrophenyl)piperidin-4-yl] benzoate
Also Known As: 1-(4-nitrophenyl)piperidin-4-yl benzoate, [1-(4-nitrophenyl)piperidin-4-yl] benzoate, 1-(4-nitrophenyl)piperidin-4-ylbenzoate, 1-(4-nitrophenyl)-4-piperidinyl benzenecarboxylate
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.4206 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 707.5584 |
Chemical Identifiers
| CAS Number | 339010-12-7 |
|---|---|
| SMILES | C1CN(CCC1OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1-(4-Nitrophenyl)piperidin-4-yl benzoate (CAS 339010-12-7), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: [1-(4-nitrophenyl)piperidin-4-yl] benzoate.
Chemical Property Profile of 1-(4-Nitrophenyl)piperidin-4-yl benzoate
Property Insights of 1-(4-Nitrophenyl)piperidin-4-yl benzoate
The XLogP value of 3.4206 indicates that 1-(4-Nitrophenyl)piperidin-4-yl benzoate 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 1-(4-Nitrophenyl)piperidin-4-yl benzoate. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)piperidin-4-yl benzoate 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 1-(4-Nitrophenyl)piperidin-4-yl benzoate?
The CAS number of 1-(4-Nitrophenyl)piperidin-4-yl benzoate is 339010-12-7.
What is the molecular formula of 1-(4-Nitrophenyl)piperidin-4-yl benzoate?
The molecular formula of 1-(4-Nitrophenyl)piperidin-4-yl benzoate is C18H18N2O4.
What is the molecular weight of 1-(4-Nitrophenyl)piperidin-4-yl benzoate?
The molecular weight of 1-(4-Nitrophenyl)piperidin-4-yl benzoate is 326.13 g/mol.
Where can I buy 1-(4-Nitrophenyl)piperidin-4-yl benzoate?
You can request a quote for 1-(4-Nitrophenyl)piperidin-4-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)piperidin-4-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)piperidin-4-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.