[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol

C11H15F3N4O — CID 66467073

IUPAC[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol
SMILESOCc1cncc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-17-1-3-18(4-2-17)10-6-15-5-9(7-19)16-10/h5-6,19H,1-4,7-8H2
InChIKeyMWXLBMXBPANKHV-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.65
Rot. Bonds3

About [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol

[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol (PubChem CID 66467073) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol
PubChem CID66467073
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol
SMILESOCc1cncc(N2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-17-1-3-18(4-2-17)10-6-15-5-9(7-19)16-10/h5-6,19H,1-4,7-8H2
InChIKeyMWXLBMXBPANKHV-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol (CID 66467073) is [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol is OCc1cncc(N2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol?
The InChIKey is MWXLBMXBPANKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-17-1-3-18(4-2-17)10-6-15-5-9(7-19)16-10/h5-6,19H,1-4,7-8H2.
What are the key properties of [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol?
[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol has a molecular weight of 276.26 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 66467073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).