[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol

C14H20N6O2 — CID 28854477

IUPAC[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCOc1cc(N2CCC(Cn3cc(CO)nn3)CC2)ncn1
InChIInChI=1S/C14H20N6O2/c1-22-14-6-13(15-10-16-14)19-4-2-11(3-5-19)7-20-8-12(9-21)17-18-20/h6,8,10-11,21H,2-5,7,9H2,1H3
InChIKeyCSBIJOVTEPGCDF-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.49
Rot. Bonds5

About [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 28854477) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID28854477
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCOc1cc(N2CCC(Cn3cc(CO)nn3)CC2)ncn1
InChIInChI=1S/C14H20N6O2/c1-22-14-6-13(15-10-16-14)19-4-2-11(3-5-19)7-20-8-12(9-21)17-18-20/h6,8,10-11,21H,2-5,7,9H2,1H3
InChIKeyCSBIJOVTEPGCDF-UHFFFAOYSA-N
XLogP0.49
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(piperidin-4-ylmethyl)triazol-4-yl]methanol
CID 86262272
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
1-[1-[[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]ethanol
CID 45236299
4-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 29001075
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 29024208
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
cycloheptyl-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 46986620
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992977
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol (CID 28854477) is [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol is COc1cc(N2CCC(Cn3cc(CO)nn3)CC2)ncn1.
What is the InChIKey of [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is CSBIJOVTEPGCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-22-14-6-13(15-10-16-14)19-4-2-11(3-5-19)7-20-8-12(9-21)17-18-20/h6,8,10-11,21H,2-5,7,9H2,1H3.
What are the key properties of [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 304.35 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 28854477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).