1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-
TL;DR: 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- (CAS 51444-29-2) is a chemical compound with molecular formula C9H16N4 and molecular weight 180.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine
Also Known As: fluoro-cycloheptane, 1-(2-Piperidinoethyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-, 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine, 1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperidine
| Molecular Formula | C9H16N4 |
|---|---|
| Molecular Weight | 180.14 g/mol |
| LogP | 0.764 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.1375 |
| Heavy Atoms | 13 |
| Complexity | 225.77255 |
Chemical Identifiers
| CAS Number | 51444-29-2 |
|---|---|
| SMILES | C1CCN(CC1)CCN2C=NC=N2 |
Product Overview
1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- (CAS 51444-29-2), with molecular formula C9H16N4 and molecular weight 180.14 g/mol. IUPAC: 1-[2-(1,2,4-triazol-1-yl)ethyl]piperidine.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-
Property Insights of 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-
The XLogP value of 0.764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-. With a topological polar surface area (TPSA) of 33.95 Ų, 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- has 0 hydrogen bond donor(s) and 3 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 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- is 51444-29-2.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- is C9H16N4.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- is 180.14 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-(2-piperidinoethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.