4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride
TL;DR: 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride (CAS 66439-98-3) is a chemical compound with molecular formula C13H17ClN2O4 and molecular weight 300.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one;hydrochloride
Also Known As: 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride, (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one Hydrochloride, (2S,5R)-5-Hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one--hydrogen chloride (1/1), RefChem:295930
| Molecular Formula | C13H17ClN2O4 |
|---|---|
| Molecular Weight | 300.09 g/mol |
| LogP | 1.7133 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.08768 |
| Heavy Atoms | 20 |
| Complexity | 515.60736 |
Chemical Identifiers
| CAS Number | 66439-98-3 |
|---|---|
| SMILES | C[C@]1(CN([C@@H](CC1=O)C2=CC=C(C=C2)[N+](=O)[O-])C)O.Cl |
Product Overview
4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride (CAS 66439-98-3), with molecular formula C13H17ClN2O4 and molecular weight 300.09 g/mol. IUPAC: (2S,5R)-5-hydroxy-1,5-dimethyl-2-(4-nitrophenyl)piperidin-4-one;hydrochloride.
Chemical Property Profile of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride
Property Insights of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride
The XLogP value of 1.7133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride. Following Lipinski's Rule of Five, 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride 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-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride?
The CAS number of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride is 66439-98-3.
What is the molecular formula of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride?
The molecular formula of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride is C13H17ClN2O4.
What is the molecular weight of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride?
The molecular weight of 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride is 300.09 g/mol.
Where can I buy 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride?
You can request a quote for 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidone, 1-equatorial,3-axial-dimethyl-3-equatorial-hydroxy-6-equatorial-(p-nitrophenyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.