2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone

C10H17F3N2O2 — CID 82245241

IUPAC2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone
SMILESCC(C)C1CN(C(=O)C(F)(F)F)C(CO)CN1
InChIInChI=1S/C10H17F3N2O2/c1-6(2)8-4-15(7(5-16)3-14-8)9(17)10(11,12)13/h6-8,14,16H,3-5H2,1-2H3
InChIKeyBIGXUNMPYPVJIU-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone

2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone (PubChem CID 82245241) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone
PubChem CID82245241
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone
SMILESCC(C)C1CN(C(=O)C(F)(F)F)C(CO)CN1
InChIInChI=1S/C10H17F3N2O2/c1-6(2)8-4-15(7(5-16)3-14-8)9(17)10(11,12)13/h6-8,14,16H,3-5H2,1-2H3
InChIKeyBIGXUNMPYPVJIU-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone (CID 82245241) is 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone is CC(C)C1CN(C(=O)C(F)(F)F)C(CO)CN1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
The InChIKey is BIGXUNMPYPVJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6(2)8-4-15(7(5-16)3-14-8)9(17)10(11,12)13/h6-8,14,16H,3-5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(hydroxymethyl)-5-propan-2-ylpiperazin-1-yl]ethanone is sourced from PubChem (CID 82245241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).