2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 175748723

IUPAC2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-7(2)8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h7,9H,3-6H2,1-2H3;(H,6,7)
InChIKeyZQEKYINRTGAHMR-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.71
Rot. Bonds1

About 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid

2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 175748723) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
PubChem CID175748723
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid
SMILESCC(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-7(2)8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h7,9H,3-6H2,1-2H3;(H,6,7)
InChIKeyZQEKYINRTGAHMR-UHFFFAOYSA-N
XLogP0.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid 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-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid (CID 175748723) is 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is CC(C)C(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is ZQEKYINRTGAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-7(2)8(11)10-5-3-9-4-6-10;3-2(4,5)1(6)7/h7,9H,3-6H2,1-2H3;(H,6,7).
What are the key properties of 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid?
2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-piperazin-1-ylpropan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175748723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).