2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol

C11H14F3N3O — CID 106547734

IUPAC2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(F)c(F)cc2F)CC1
InChIInChI=1S/C11H14F3N3O/c12-8-7-9(13)11(15-10(8)14)17-3-1-16(2-4-17)5-6-18/h7,18H,1-6H2
InChIKeyDXVVEMLUFZDQTF-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.61
Rot. Bonds3

About 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol

2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol (PubChem CID 106547734) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol
PubChem CID106547734
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nc(F)c(F)cc2F)CC1
InChIInChI=1S/C11H14F3N3O/c12-8-7-9(13)11(15-10(8)14)17-3-1-16(2-4-17)5-6-18/h7,18H,1-6H2
InChIKeyDXVVEMLUFZDQTF-UHFFFAOYSA-N
XLogP0.61
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-(3,5,6-trifluoro-2-pyridinyl)piperazine
CID 106547733
2-[4-(5-fluoro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 143431082
2-[4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226856
2-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanol
CID 19837148
2-[4-[2-fluoro-4-(hydroxymethyl)phenyl]piperazin-1-yl]ethanol
CID 43592205
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
CID 61177324
2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107214045
5-bromo-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 107223341
2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110430461
2-[4-(5,6-diaminopyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19137084
2-[4-(5-bromo-3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]ethanol
CID 103580213
2-[4-(2-amino-6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 113268082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol (CID 106547734) is 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol is OCCN1CCN(c2nc(F)c(F)cc2F)CC1.
What is the InChIKey of 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol?
The InChIKey is DXVVEMLUFZDQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-8-7-9(13)11(15-10(8)14)17-3-1-16(2-4-17)5-6-18/h7,18H,1-6H2.
What are the key properties of 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol?
2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol has a molecular weight of 261.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5,6-trifluoro-2-pyridinyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 106547734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).