2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol

C10H12F3N3O — CID 151575630

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol
SMILESOc1cnc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-1-3-16(4-2-7)9-14-5-8(17)6-15-9/h5-7,17H,1-4H2
InChIKeyQFJUWZSLMNHWFQ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.96
Rot. Bonds1

About 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol

2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol (PubChem CID 151575630) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol
PubChem CID151575630
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol
SMILESOc1cnc(N2CCC(C(F)(F)F)CC2)nc1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-1-3-16(4-2-7)9-14-5-8(17)6-15-9/h5-7,17H,1-4H2
InChIKeyQFJUWZSLMNHWFQ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol (CID 151575630) is 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol is Oc1cnc(N2CCC(C(F)(F)F)CC2)nc1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol?
The InChIKey is QFJUWZSLMNHWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-1-3-16(4-2-7)9-14-5-8(17)6-15-9/h5-7,17H,1-4H2.
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol?
2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol has a molecular weight of 247.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-ol is sourced from PubChem (CID 151575630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).