3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride
TL;DR: 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride (CAS 37697-57-7) is a chemical compound with molecular formula C18H27ClN2O2 and molecular weight 338.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[6-(4-hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxypropanenitrile;hydrochloride
Also Known As: 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride, Propanenitrile, 3-((5-(4-hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)-, monohydrochloride, 3-[6-(4-hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxypropanenitrile hydrochloride, 3-{[6-(4-Hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxy}propanenitrile--hydrogen chloride (1/1), Propanenitrile, 3-[[5-(4-hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl]oxy]-, monohydrochloride
| Molecular Formula | C18H27ClN2O2 |
|---|---|
| Molecular Weight | 338.18 g/mol |
| LogP | 2.56268 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.17612 |
| Heavy Atoms | 23 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 37697-57-7 |
|---|---|
| SMILES | CC1CN(C(CC1O)(C)C)C#CC#CC(C)(C)OCCC#N.Cl |
| InChIKey | PPOLXUQKJZNFBR-UHFFFAOYSA-N |
Product Overview
3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride (CAS 37697-57-7), with molecular formula C18H27ClN2O2 and molecular weight 338.18 g/mol. IUPAC: 3-[6-(4-hydroxy-2,2,5-trimethylpiperidin-1-yl)-2-methylhexa-3,5-diyn-2-yl]oxypropanenitrile;hydrochloride.
Chemical Property Profile of 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride
Property Insights of 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride
The XLogP value of 2.56268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride. With a topological polar surface area (TPSA) of 56.5 Ų, 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride has 2 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 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride?
The CAS number of 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride is 37697-57-7.
What is the molecular formula of 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride?
The molecular formula of 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride is C18H27ClN2O2.
What is the molecular weight of 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride?
The molecular weight of 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride is 338.18 g/mol.
Where can I buy 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride?
You can request a quote for 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-((5-(4-Hydroxy-2,2,5-trimethyl-1-piperidinyl)-1,1-dimethyl-2,4-pentadiynyl)oxy)propanenitrile monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.