2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone

C10H17F3N2O2 — CID 149263327

IUPAC2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC(C)N1CCN(C(=O)CO)[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(2)14-3-4-15(9(17)6-16)8(5-14)10(11,12)13/h7-8,16H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyXPQVMKBIFQHILC-QMMMGPOBSA-N
MW254.25 g/mol
LogP0.46
Rot. Bonds2

About 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone

2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone (PubChem CID 149263327) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
PubChem CID149263327
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
SMILESCC(C)N1CCN(C(=O)CO)[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c1-7(2)14-3-4-15(9(17)6-16)8(5-14)10(11,12)13/h7-8,16H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyXPQVMKBIFQHILC-QMMMGPOBSA-N
XLogP0.46
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone (CID 149263327) is 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone is CC(C)N1CCN(C(=O)CO)[C@H](C(F)(F)F)C1.
What is the InChIKey of 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
The InChIKey is XPQVMKBIFQHILC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(2)14-3-4-15(9(17)6-16)8(5-14)10(11,12)13/h7-8,16H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone?
2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 149263327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).