2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone

C13H16F3N3O2 — CID 95826802

IUPAC2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nc(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H16F3N3O2/c1-8-6-10(13(14,15)16)18-12(17-8)9-2-4-19(5-3-9)11(21)7-20/h6,9,20H,2-5,7H2,1H3
InChIKeyXIBWVSOHCBRHKT-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.50
Rot. Bonds2

About 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone

2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95826802) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
PubChem CID95826802
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)nc(C2CCN(C(=O)CO)CC2)n1
InChIInChI=1S/C13H16F3N3O2/c1-8-6-10(13(14,15)16)18-12(17-8)9-2-4-19(5-3-9)11(21)7-20/h6,9,20H,2-5,7H2,1H3
InChIKeyXIBWVSOHCBRHKT-UHFFFAOYSA-N
XLogP1.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone (CID 95826802) is 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone is Cc1cc(C(F)(F)F)nc(C2CCN(C(=O)CO)CC2)n1.
What is the InChIKey of 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is XIBWVSOHCBRHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-8-6-10(13(14,15)16)18-12(17-8)9-2-4-19(5-3-9)11(21)7-20/h6,9,20H,2-5,7H2,1H3.
What are the key properties of 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone?
2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 303.28 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95826802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).