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

C15H24F3N3OS — CID 155721101

IUPAC1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CC(O)CCN1C.FC(F)(F)c1csc(N2CCCC2)n1
InChIInChI=1S/C8H9F3N2S.C7H15NO/c9-8(10,11)6-5-14-7(12-6)13-3-1-2-4-13;1-6-5-7(9)3-4-8(6)2/h5H,1-4H2;6-7,9H,3-5H2,1-2H3
InChIKeyJRCSLUHGAVKXBK-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.22
Rot. Bonds1

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

1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 155721101) has the molecular formula C15H24F3N3OS and a molecular weight of 351.44 g/mol. Its IUPAC name is 1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID155721101
Molecular FormulaC15H24F3N3OS
Molecular Weight351.44 g/mol
Exact Mass351.16
IUPAC Name1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CC(O)CCN1C.FC(F)(F)c1csc(N2CCCC2)n1
InChIInChI=1S/C8H9F3N2S.C7H15NO/c9-8(10,11)6-5-14-7(12-6)13-3-1-2-4-13;1-6-5-7(9)3-4-8(6)2/h5H,1-4H2;6-7,9H,3-5H2,1-2H3
InChIKeyJRCSLUHGAVKXBK-UHFFFAOYSA-N
XLogP3.22
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.22
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-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (CID 155721101) is 1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is CC1CC(O)CCN1C.FC(F)(F)c1csc(N2CCCC2)n1.
What is the InChIKey of 1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JRCSLUHGAVKXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2S.C7H15NO/c9-8(10,11)6-5-14-7(12-6)13-3-1-2-4-13;1-6-5-7(9)3-4-8(6)2/h5H,1-4H2;6-7,9H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
1,2-dimethylpiperidin-4-ol;2-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 351.44 g/mol, XLogP of 3.22, 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-pyrrolidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 155721101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).