2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol

C12H16F3N3O2 — CID 141342017

IUPAC2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol
SMILESOCCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)11-17-8(3-6-19)7-10(18-11)20-9-1-4-16-5-2-9/h7,9,16,19H,1-6H2
InChIKeyQFDODPUZLVCHNJ-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.16
Rot. Bonds4

About 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol

2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol (PubChem CID 141342017) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol
PubChem CID141342017
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol
SMILESOCCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)11-17-8(3-6-19)7-10(18-11)20-9-1-4-16-5-2-9/h7,9,16,19H,1-6H2
InChIKeyQFDODPUZLVCHNJ-UHFFFAOYSA-N
XLogP1.16
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
The IUPAC name of 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol (CID 141342017) is 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol.
What is the SMILES notation for 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
The canonical SMILES for 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol is OCCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
The InChIKey is QFDODPUZLVCHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)11-17-8(3-6-19)7-10(18-11)20-9-1-4-16-5-2-9/h7,9,16,19H,1-6H2.
What are the key properties of 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol?
2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol has a molecular weight of 291.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]ethanol is sourced from PubChem (CID 141342017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).