2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol

C11H21F3N2O2 — CID 43771497

IUPAC2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2/c12-11(13,14)9-16-4-1-10(2-5-16)15-3-7-18-8-6-17/h10,15,17H,1-9H2
InChIKeyONMVYOOBWVUKCA-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.61
Rot. Bonds7

About 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol

2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol (PubChem CID 43771497) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol
PubChem CID43771497
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol
SMILESOCCOCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O2/c12-11(13,14)9-16-4-1-10(2-5-16)15-3-7-18-8-6-17/h10,15,17H,1-9H2
InChIKeyONMVYOOBWVUKCA-UHFFFAOYSA-N
XLogP0.61
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol 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-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol (CID 43771497) is 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol is OCCOCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol?
The InChIKey is ONMVYOOBWVUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c12-11(13,14)9-16-4-1-10(2-5-16)15-3-7-18-8-6-17/h10,15,17H,1-9H2.
What are the key properties of 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol?
2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol has a molecular weight of 270.29 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 43771497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).