4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine

C11H20N4O — CID 63875998

IUPAC4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCCn1cnnc1CCOC1CCNCC1
InChIInChI=1S/C11H20N4O/c1-2-15-9-13-14-11(15)5-8-16-10-3-6-12-7-4-10/h9-10,12H,2-8H2,1H3
InChIKeyYSEKKAXBZLOBPZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.61
Rot. Bonds5

About 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine

4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine (PubChem CID 63875998) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
PubChem CID63875998
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCCn1cnnc1CCOC1CCNCC1
InChIInChI=1S/C11H20N4O/c1-2-15-9-13-14-11(15)5-8-16-10-3-6-12-7-4-10/h9-10,12H,2-8H2,1H3
InChIKeyYSEKKAXBZLOBPZ-UHFFFAOYSA-N
XLogP0.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine (CID 63875998) is 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine is CCn1cnnc1CCOC1CCNCC1.
What is the InChIKey of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The InChIKey is YSEKKAXBZLOBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-15-9-13-14-11(15)5-8-16-10-3-6-12-7-4-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine has a molecular weight of 224.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethoxy]piperidine is sourced from PubChem (CID 63875998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).