2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid

C10H15F3N2O6 — CID 175087939

IUPAC2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H14N2O4.C2HF3O2/c11-6-7(12)10-3-1-9(2-4-10)5-8(13)14;3-2(4,5)1(6)7/h11H,1-6H2,(H,13,14);(H,6,7)
InChIKeyHMCPRXMDTNEINW-UHFFFAOYSA-N
MW316.23 g/mol
LogP-1.16
Rot. Bonds3

About 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid

2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175087939) has the molecular formula C10H15F3N2O6 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175087939
Molecular FormulaC10H15F3N2O6
Molecular Weight316.23 g/mol
Exact Mass316.09
IUPAC Name2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCN(C(=O)CO)CC1
InChIInChI=1S/C8H14N2O4.C2HF3O2/c11-6-7(12)10-3-1-9(2-4-10)5-8(13)14;3-2(4,5)1(6)7/h11H,1-6H2,(H,13,14);(H,6,7)
InChIKeyHMCPRXMDTNEINW-UHFFFAOYSA-N
XLogP-1.16
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;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-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid (CID 175087939) is 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CN1CCN(C(=O)CO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HMCPRXMDTNEINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4.C2HF3O2/c11-6-7(12)10-3-1-9(2-4-10)5-8(13)14;3-2(4,5)1(6)7/h11H,1-6H2,(H,13,14);(H,6,7).
What are the key properties of 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid?
2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 316.23 g/mol, XLogP of -1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175087939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).