2-[(4-ethyltriazol-1-yl)methyl]piperidine

C10H18N4 — CID 115019973

IUPAC2-[(4-ethyltriazol-1-yl)methyl]piperidine
SMILESCCc1cn(CC2CCCCN2)nn1
InChIInChI=1S/C10H18N4/c1-2-9-7-14(13-12-9)8-10-5-3-4-6-11-10/h7,10-11H,2-6,8H2,1H3
InChIKeyOLTJCVGRYUMQCQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.98
Rot. Bonds3

About 2-[(4-ethyltriazol-1-yl)methyl]piperidine

2-[(4-ethyltriazol-1-yl)methyl]piperidine (PubChem CID 115019973) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(4-ethyltriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-ethyltriazol-1-yl)methyl]piperidine
PubChem CID115019973
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[(4-ethyltriazol-1-yl)methyl]piperidine
SMILESCCc1cn(CC2CCCCN2)nn1
InChIInChI=1S/C10H18N4/c1-2-9-7-14(13-12-9)8-10-5-3-4-6-11-10/h7,10-11H,2-6,8H2,1H3
InChIKeyOLTJCVGRYUMQCQ-UHFFFAOYSA-N
XLogP0.98
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethyltriazol-4-yl)methyl]piperidine
CID 115020003
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 98042456
3-acetamidopropyl-dimethyl-[[1-[[(2S)-pyrrolidin-2-yl]methyl]triazol-4-yl]methyl]azanium
CID 134959534
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320
bis(1,4-diethyltriazole);ethane
CID 160569546
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 121214008
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
4-(bromomethyl)-1-(cyclopentylmethyl)triazole
CID 62400118
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
CID 98042437

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyltriazol-1-yl)methyl]piperidine?
The IUPAC name of 2-[(4-ethyltriazol-1-yl)methyl]piperidine (CID 115019973) is 2-[(4-ethyltriazol-1-yl)methyl]piperidine.
What is the SMILES notation for 2-[(4-ethyltriazol-1-yl)methyl]piperidine?
The canonical SMILES for 2-[(4-ethyltriazol-1-yl)methyl]piperidine is CCc1cn(CC2CCCCN2)nn1.
What is the InChIKey of 2-[(4-ethyltriazol-1-yl)methyl]piperidine?
The InChIKey is OLTJCVGRYUMQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-2-9-7-14(13-12-9)8-10-5-3-4-6-11-10/h7,10-11H,2-6,8H2,1H3.
What are the key properties of 2-[(4-ethyltriazol-1-yl)methyl]piperidine?
2-[(4-ethyltriazol-1-yl)methyl]piperidine has a molecular weight of 194.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyltriazol-1-yl)methyl]piperidine is sourced from PubChem (CID 115019973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).