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

C12H16F3N3O — CID 171701811

IUPAC2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-9-10(1-2-16-11)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2
InChIKeyGPZUEBRUWNESAO-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.21
Rot. Bonds3

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

2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 171701811) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
PubChem CID171701811
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)11-9-10(1-2-16-11)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2
InChIKeyGPZUEBRUWNESAO-UHFFFAOYSA-N
XLogP1.21
TPSA39.60 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
4-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 62491107
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-2-carbonitrile
CID 55205409
2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethanol
CID 11972047
N-chloro-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-amine
CID 118054993
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 43592139
2-[4-[3-tert-butyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 59774719
[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamic acid
CID 67341843
1-(2-fluoro-4-pyridinyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 171999750
2-[4-[3-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethanol
CID 58563433
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol (CID 171701811) is 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccnc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is GPZUEBRUWNESAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)11-9-10(1-2-16-11)18-5-3-17(4-6-18)7-8-19/h1-2,9,19H,3-8H2.
What are the key properties of 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 171701811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).