2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3N3O2 — CID 63102602

IUPAC2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(O)CN1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-11(2,20)9-18-5-3-17(4-6-18)7-10(19)16-8-12(13,14)15/h20H,3-9H2,1-2H3,(H,16,19)
InChIKeyIXMMBTPRNBOPIJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.05
Rot. Bonds5

About 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63102602) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63102602
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(O)CN1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-11(2,20)9-18-5-3-17(4-6-18)7-10(19)16-8-12(13,14)15/h20H,3-9H2,1-2H3,(H,16,19)
InChIKeyIXMMBTPRNBOPIJ-UHFFFAOYSA-N
XLogP0.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 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-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63102602) is 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(O)CN1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IXMMBTPRNBOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-11(2,20)9-18-5-3-17(4-6-18)7-10(19)16-8-12(13,14)15/h20H,3-9H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 297.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63102602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).