4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate)
TL;DR: 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) (CAS 53589-02-9) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-methylpiperidin-4-yl) 4-nitrobenzoate
Also Known As: 1-Methylpiperidin-4-yl 4-nitrobenzoate, (1-methyl-4-piperidyl) 4-nitrobenzoate, 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate), (1-methylpiperidin-4-yl) 4-nitrobenzoate, RefChem:295794
| Molecular Formula | C13H16N2O4 |
|---|---|
| Molecular Weight | 264.11 g/mol |
| LogP | 1.8458 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.111 |
| Heavy Atoms | 19 |
| Complexity | 464.0365 |
Chemical Identifiers
| CAS Number | 53589-02-9 |
|---|---|
| SMILES | CN1CCC(CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) (CAS 53589-02-9), with molecular formula C13H16N2O4 and molecular weight 264.11 g/mol. IUPAC: (1-methylpiperidin-4-yl) 4-nitrobenzoate.
Chemical Property Profile of 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate)
Property Insights of 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate)
The XLogP value of 1.8458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate). The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate). Following Lipinski's Rule of Five, 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) 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-methyl-, 4-(4-nitrobenzoate)?
The CAS number of 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) is 53589-02-9.
What is the molecular formula of 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate)?
The molecular formula of 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) is C13H16N2O4.
What is the molecular weight of 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate)?
The molecular weight of 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) is 264.11 g/mol.
Where can I buy 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate)?
You can request a quote for 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) 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-methyl-, 4-(4-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidinol, 1-methyl-, 4-(4-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.