4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

C13H19N3OS — CID 81060329

IUPAC4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N2CCC(O)CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C13H19N3OS/c1-8-7-11(12(13(14)18)9(2)15-8)16-5-3-10(17)4-6-16/h7,10,17H,3-6H2,1-2H3,(H2,14,18)
InChIKeyWIOUPMDOGKZJHP-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.29
Rot. Bonds2

About 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide

4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81060329) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81060329
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N2CCC(O)CC2)c(C(N)=S)c(C)n1
InChIInChI=1S/C13H19N3OS/c1-8-7-11(12(13(14)18)9(2)15-8)16-5-3-10(17)4-6-16/h7,10,17H,3-6H2,1-2H3,(H2,14,18)
InChIKeyWIOUPMDOGKZJHP-UHFFFAOYSA-N
XLogP1.29
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbothioamide
CID 81035294
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbothioamide
CID 112625491
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81115324
2,6-dimethyl-4-(1,4-oxazepan-4-yl)pyridine-3-carbothioamide
CID 81054283
2,6-dimethyl-4-(4-methyl-3-oxopiperazin-1-yl)pyridine-3-carbothioamide
CID 81054010
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
2,6-dimethyl-4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-3-carbothioamide
CID 102889091
4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 81054462
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
CID 81060692
4-(cyclopropylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81061276
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 106669723
2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 114678636

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide (CID 81060329) is 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(N2CCC(O)CC2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is WIOUPMDOGKZJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-8-7-11(12(13(14)18)9(2)15-8)16-5-3-10(17)4-6-16/h7,10,17H,3-6H2,1-2H3,(H2,14,18).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide?
4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 265.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81060329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).