2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O2 — CID 111106740

IUPAC2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)C1CCCCN1CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-9(18)10-5-3-4-6-17(10)7-11(19)16(2)8-12(13,14)15/h9-10,18H,3-8H2,1-2H3
InChIKeyRGBBAEXUYZLZEE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.24
Rot. Bonds4

About 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111106740) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111106740
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)C1CCCCN1CC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-9(18)10-5-3-4-6-17(10)7-11(19)16(2)8-12(13,14)15/h9-10,18H,3-8H2,1-2H3
InChIKeyRGBBAEXUYZLZEE-UHFFFAOYSA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-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-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111106740) is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CC(O)C1CCCCN1CC(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RGBBAEXUYZLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-9(18)10-5-3-4-6-17(10)7-11(19)16(2)8-12(13,14)15/h9-10,18H,3-8H2,1-2H3.
What are the key properties of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111106740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).