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

C11H20N4 — CID 62695306

IUPAC3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCn1ncnc1CCC1CCCNC1
InChIInChI=1S/C11H20N4/c1-2-15-11(13-9-14-15)6-5-10-4-3-7-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeyHCRFHQVOOPTKOK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.23
Rot. Bonds4

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

3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 62695306) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID62695306
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCn1ncnc1CCC1CCCNC1
InChIInChI=1S/C11H20N4/c1-2-15-11(13-9-14-15)6-5-10-4-3-7-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeyHCRFHQVOOPTKOK-UHFFFAOYSA-N
XLogP1.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-piperidin-3-ylbutan-2-one
CID 116562412
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106640259
3-[2-(1H-imidazol-2-yl)ethyl]piperidine
CID 84732247
3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163
3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55111099
6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682003
3-chloro-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 165459842
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
[1-cycloheptyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105318460
1-cyclobutyl-N-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 103169001

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 62695306) is 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine is CCn1ncnc1CCC1CCCNC1.
What is the InChIKey of 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is HCRFHQVOOPTKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-15-11(13-9-14-15)6-5-10-4-3-7-12-8-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine?
3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 62695306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).