1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol

C10H12F3N3O — CID 2795837

IUPAC1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-1-4-14-9(15-8)16-5-2-7(17)3-6-16/h1,4,7,17H,2-3,5-6H2
InChIKeyQQWTYVSELDRYPM-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.46
Rot. Bonds1

About 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 2795837) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID2795837
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-1-4-14-9(15-8)16-5-2-7(17)3-6-16/h1,4,7,17H,2-3,5-6H2
InChIKeyQQWTYVSELDRYPM-UHFFFAOYSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol (CID 2795837) is 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol is OC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is QQWTYVSELDRYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-1-4-14-9(15-8)16-5-2-7(17)3-6-16/h1,4,7,17H,2-3,5-6H2.
What are the key properties of 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 247.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 2795837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).