2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine

C12H22N4 — CID 62722485

IUPAC2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCc1nc(CCC2CCCCN2)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-11-14-12(16(2)15-11)8-7-10-6-4-5-9-13-10/h10,13H,3-9H2,1-2H3
InChIKeyIPGKGRJKBHGBAU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.45
Rot. Bonds4

About 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine

2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine (PubChem CID 62722485) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
PubChem CID62722485
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
SMILESCCc1nc(CCC2CCCCN2)n(C)n1
InChIInChI=1S/C12H22N4/c1-3-11-14-12(16(2)15-11)8-7-10-6-4-5-9-13-10/h10,13H,3-9H2,1-2H3
InChIKeyIPGKGRJKBHGBAU-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
1,3,4-trimethyl-5-(2-pyrrolidin-2-ylethyl)pyrazole
CID 83858638
2-[2-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 55107637
2-[2-(2-methylpyrazol-3-yl)ethyl]azepane
CID 103015057
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]azepane
CID 113443139
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62218072
5,7-dimethyl-3-(2-piperidin-2-ylethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 79816638

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The IUPAC name of 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine (CID 62722485) is 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The canonical SMILES for 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine is CCc1nc(CCC2CCCCN2)n(C)n1.
What is the InChIKey of 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
The InChIKey is IPGKGRJKBHGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-11-14-12(16(2)15-11)8-7-10-6-4-5-9-13-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine?
2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine has a molecular weight of 222.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine is sourced from PubChem (CID 62722485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).