4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine

C11H20N4O — CID 63877557

IUPAC4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCc1nnc(CCOC2CCNCC2)n1C
InChIInChI=1S/C11H20N4O/c1-9-13-14-11(15(9)2)5-8-16-10-3-6-12-7-4-10/h10,12H,3-8H2,1-2H3
InChIKeyZFEMSIFSNFYBBA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.43
Rot. Bonds4

About 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine

4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine (PubChem CID 63877557) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
PubChem CID63877557
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine
SMILESCc1nnc(CCOC2CCNCC2)n1C
InChIInChI=1S/C11H20N4O/c1-9-13-14-11(15(9)2)5-8-16-10-3-6-12-7-4-10/h10,12H,3-8H2,1-2H3
InChIKeyZFEMSIFSNFYBBA-UHFFFAOYSA-N
XLogP0.43
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875313
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875829
1-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-piperidin-4-yloxyethanone
CID 167883829
2-cyclopentyloxy-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 63828555
4-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 55251532
5-methyl-N-(2-piperidin-4-yloxyethyl)-1,3,4-thiadiazol-2-amine
CID 65208215
5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-amine
CID 65418361
3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 55251421
1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
CID 63870232
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641
2-piperidin-4-yloxyethyl acetate;hydrochloride
CID 172841585
3-(2,2-dimethylcyclopropyl)-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole
CID 104880792

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The IUPAC name of 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine (CID 63877557) is 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The canonical SMILES for 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine is Cc1nnc(CCOC2CCNCC2)n1C.
What is the InChIKey of 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
The InChIKey is ZFEMSIFSNFYBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-13-14-11(15(9)2)5-8-16-10-3-6-12-7-4-10/h10,12H,3-8H2,1-2H3.
What are the key properties of 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine?
4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine has a molecular weight of 224.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]piperidine is sourced from PubChem (CID 63877557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).