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

C12H16F3N3O2 — CID 66660843

IUPAC4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOCCC1(O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)9-1-5-16-10(17-9)18-6-2-11(20,3-7-18)4-8-19/h1,5,19-20H,2-4,6-8H2
InChIKeyXEPZWYHAZATTRI-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.21
Rot. Bonds3

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

4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 66660843) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID66660843
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOCCC1(O)CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H16F3N3O2/c13-12(14,15)9-1-5-16-10(17-9)18-6-2-11(20,3-7-18)4-8-19/h1,5,19-20H,2-4,6-8H2
InChIKeyXEPZWYHAZATTRI-UHFFFAOYSA-N
XLogP1.21
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol (CID 66660843) is 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol is OCCC1(O)CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is XEPZWYHAZATTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c13-12(14,15)9-1-5-16-10(17-9)18-6-2-11(20,3-7-18)4-8-19/h1,5,19-20H,2-4,6-8H2.
What are the key properties of 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol?
4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 291.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 66660843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).