1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole

C16H26F3N3OS — CID 155721188

IUPAC1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CC(O)CCN1C.FC(F)(F)c1csc(N2CCCCC2)n1
InChIInChI=1S/C9H11F3N2S.C7H15NO/c10-9(11,12)7-6-15-8(13-7)14-4-2-1-3-5-14;1-6-5-7(9)3-4-8(6)2/h6H,1-5H2;6-7,9H,3-5H2,1-2H3
InChIKeyYYHDZAIXAZJJEO-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.61
Rot. Bonds1

About 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole

1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 155721188) has the molecular formula C16H26F3N3OS and a molecular weight of 365.47 g/mol. Its IUPAC name is 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID155721188
Molecular FormulaC16H26F3N3OS
Molecular Weight365.47 g/mol
Exact Mass365.17
IUPAC Name1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CC(O)CCN1C.FC(F)(F)c1csc(N2CCCCC2)n1
InChIInChI=1S/C9H11F3N2S.C7H15NO/c10-9(11,12)7-6-15-8(13-7)14-4-2-1-3-5-14;1-6-5-7(9)3-4-8(6)2/h6H,1-5H2;6-7,9H,3-5H2,1-2H3
InChIKeyYYHDZAIXAZJJEO-UHFFFAOYSA-N
XLogP3.61
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (CID 155721188) is 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is CC1CC(O)CCN1C.FC(F)(F)c1csc(N2CCCCC2)n1.
What is the InChIKey of 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YYHDZAIXAZJJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S.C7H15NO/c10-9(11,12)7-6-15-8(13-7)14-4-2-1-3-5-14;1-6-5-7(9)3-4-8(6)2/h6H,1-5H2;6-7,9H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 365.47 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 155721188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).