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

C10H12F3N3O — CID 126851853

IUPAC1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(c2ncccn2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)2-6-16(7-3-9)8-14-4-1-5-15-8/h1,4-5,17H,2-3,6-7H2
InChIKeyQWAWSIRAYLFPGF-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.37
Rot. Bonds1

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

1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 126851853) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol
PubChem CID126851853
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol
SMILESOC1(C(F)(F)F)CCN(c2ncccn2)CC1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)9(17)2-6-16(7-3-9)8-14-4-1-5-15-8/h1,4-5,17H,2-3,6-7H2
InChIKeyQWAWSIRAYLFPGF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol (CID 126851853) is 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol is OC1(C(F)(F)F)CCN(c2ncccn2)CC1.
What is the InChIKey of 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is QWAWSIRAYLFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)9(17)2-6-16(7-3-9)8-14-4-1-5-15-8/h1,4-5,17H,2-3,6-7H2.
What are the key properties of 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol?
1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 247.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 126851853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).