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

C11H15F3N4O — CID 2795979

IUPAC2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-1-2-15-10(16-9)18-5-3-17(4-6-18)7-8-19/h1-2,19H,3-8H2
InChIKeyAWGYMFGFNLYHOH-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.61
Rot. Bonds3

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

2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol (PubChem CID 2795979) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol
PubChem CID2795979
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)9-1-2-15-10(16-9)18-5-3-17(4-6-18)7-8-19/h1-2,19H,3-8H2
InChIKeyAWGYMFGFNLYHOH-UHFFFAOYSA-N
XLogP0.61
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine
CID 2778334
1-{4-[4-(4-Methyl-pyrimidin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11055689
1-{4-[4-(2,6-Dimethyl-pyrimidin-4-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 11056129
{4-[4-(2,6-Dimethyl-pyrimidin-4-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methanol
CID 11130365
N,N-dimethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-sulfonamide
CID 9819260
(2-(4-Methylpiperazin-1-yl)pyrimidin-4-yl)methanol
CID 62748658
2-(Piperazin-1-yl)-4-(trifluoromethyl)pyrimidine dihydrochloride
CID 138040796
N-[(4-ethylmorpholin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 53592753
3-(Piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 70767573
4-Methyl-3-(4-methylpyrimidin-2-yl)morpholine
CID 110269460
2-(2-Piperazin-1-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 172434778
2-[(1,4-Dimethylpiperazin-2-yl)methoxy]-4-(trifluoromethyl)pyrimidine
CID 172437603

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol (CID 2795979) is 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is AWGYMFGFNLYHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)9-1-2-15-10(16-9)18-5-3-17(4-6-18)7-8-19/h1-2,19H,3-8H2.
What are the key properties of 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol?
2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 276.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2795979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).