1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C11H19F3N2O2 — CID 79261690

IUPAC1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCCC1CCO
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-7-10(18)16-5-2-1-3-9(16)4-6-17/h9,15,17H,1-8H2
InChIKeySCEJOJPEUANMLU-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds5

About 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 79261690) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID79261690
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCCC1CCO
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-7-10(18)16-5-2-1-3-9(16)4-6-17/h9,15,17H,1-8H2
InChIKeySCEJOJPEUANMLU-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)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 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 79261690) is 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCCCC1CCO.
What is the InChIKey of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is SCEJOJPEUANMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-7-10(18)16-5-2-1-3-9(16)4-6-17/h9,15,17H,1-8H2.
What are the key properties of 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 268.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 79261690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).