1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

C11H19F3N2O — CID 63908333

IUPAC1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-5-3-15(4-6-16)7-10(17)9-1-2-9/h9-10,17H,1-8H2
InChIKeyGBAAWULEGXQXNT-UHFFFAOYSA-N
MW252.28 g/mol
LogP0.94
Rot. Bonds4

About 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol

1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (PubChem CID 63908333) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
PubChem CID63908333
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol
SMILESOC(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16-5-3-15(4-6-16)7-10(17)9-1-2-9/h9-10,17H,1-8H2
InChIKeyGBAAWULEGXQXNT-UHFFFAOYSA-N
XLogP0.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol (CID 63908333) is 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is OC(CN1CCN(CC(F)(F)F)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
The InChIKey is GBAAWULEGXQXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-16-5-3-15(4-6-16)7-10(17)9-1-2-9/h9-10,17H,1-8H2.
What are the key properties of 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol has a molecular weight of 252.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 63908333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).