[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol

C13H22N2O2S — CID 111612856

IUPAC[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCOC(C)c1nc(CN2CCC(CO)CC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-10(17-2)13-14-12(9-18-13)7-15-5-3-11(8-16)4-6-15/h9-11,16H,3-8H2,1-2H3
InChIKeyWDYATJHAFOEPHY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.05
Rot. Bonds5

About [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol

[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol (PubChem CID 111612856) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
PubChem CID111612856
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCOC(C)c1nc(CN2CCC(CO)CC2)cs1
InChIInChI=1S/C13H22N2O2S/c1-10(17-2)13-14-12(9-18-13)7-15-5-3-11(8-16)4-6-15/h9-11,16H,3-8H2,1-2H3
InChIKeyWDYATJHAFOEPHY-UHFFFAOYSA-N
XLogP2.05
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-methoxyethyl]-4-(piperazin-1-ylmethyl)-1,3-thiazole
CID 95789668
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388837
4-[[(3aS,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]methyl]-2-[(1R)-1-methoxyethyl]-1,3-thiazole
CID 97220170
1-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120853138
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
methyl 2-hydroxy-2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]acetate
CID 75431209
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212834
4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 63905100
3-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63904958

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol (CID 111612856) is [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol is COC(C)c1nc(CN2CCC(CO)CC2)cs1.
What is the InChIKey of [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is WDYATJHAFOEPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-10(17-2)13-14-12(9-18-13)7-15-5-3-11(8-16)4-6-15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol?
[1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 270.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 111612856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).