[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol

C10H18N4O — CID 129493953

IUPAC[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
SMILESCN1CCCC[C@H]1Cn1cc(CO)nn1
InChIInChI=1S/C10H18N4O/c1-13-5-3-2-4-10(13)7-14-6-9(8-15)11-12-14/h6,10,15H,2-5,7-8H2,1H3/t10-/m0/s1
InChIKeyDAZALXPGJSEKPJ-JTQLQIEISA-N
MW210.28 g/mol
LogP0.25
Rot. Bonds3

About [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol

[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol (PubChem CID 129493953) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
PubChem CID129493953
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
SMILESCN1CCCC[C@H]1Cn1cc(CO)nn1
InChIInChI=1S/C10H18N4O/c1-13-5-3-2-4-10(13)7-14-6-9(8-15)11-12-14/h6,10,15H,2-5,7-8H2,1H3/t10-/m0/s1
InChIKeyDAZALXPGJSEKPJ-JTQLQIEISA-N
XLogP0.25
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
[1-[[(1S)-2,2,3,3-tetramethylcyclopentyl]methyl]triazol-4-yl]methanol
CID 58477079
1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]triazole-4-carbaldehyde
CID 129321483
2-[1-[2-(1-methylpiperidin-2-yl)ethyl]triazol-4-yl]ethanamine
CID 116642161
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-ol
CID 117124769
1-[2-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 121208743
cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
CID 78357904
(2-chlorofuran-3-yl)-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 120949943
N-[[1-[2-[(1-methylpiperidin-2-yl)methoxy]ethyl]triazol-4-yl]methyl]ethanamine
CID 65468849
1-[(1-methylpiperidin-2-yl)methyl]pyrazol-4-amine
CID 170985114
[1-[(5-methyloxolan-2-yl)methyl]triazol-4-yl]methanol
CID 103138035

Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol (CID 129493953) is [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol is CN1CCCC[C@H]1Cn1cc(CO)nn1.
What is the InChIKey of [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol?
The InChIKey is DAZALXPGJSEKPJ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-5-3-2-4-10(13)7-14-6-9(8-15)11-12-14/h6,10,15H,2-5,7-8H2,1H3/t10-/m0/s1.
What are the key properties of [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol?
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol has a molecular weight of 210.28 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 129493953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).