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

C12H16F3N3O — CID 131988157

IUPAC2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-7-16-11(17-8-10)18-4-1-9(2-5-18)3-6-19/h7-9,19H,1-6H2
InChIKeyMJKKBDSHUYQKLX-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.09
Rot. Bonds3

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

2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (PubChem CID 131988157) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
PubChem CID131988157
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)10-7-16-11(17-8-10)18-4-1-9(2-5-18)3-6-19/h7-9,19H,1-6H2
InChIKeyMJKKBDSHUYQKLX-UHFFFAOYSA-N
XLogP2.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (CID 131988157) is 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is OCCC1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is MJKKBDSHUYQKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)10-7-16-11(17-8-10)18-4-1-9(2-5-18)3-6-19/h7-9,19H,1-6H2.
What are the key properties of 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 131988157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).