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

C15H27F3N2O2 — CID 111106932

IUPAC2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCCCC1C(C)O
InChIInChI=1S/C15H27F3N2O2/c1-11(2)8-20(10-15(16,17)18)14(22)9-19-7-5-4-6-13(19)12(3)21/h11-13,21H,4-10H2,1-3H3
InChIKeyXOUUIAURVZPSJY-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.27
Rot. Bonds6

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

2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111106932) has the molecular formula C15H27F3N2O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111106932
Molecular FormulaC15H27F3N2O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCCCC1C(C)O
InChIInChI=1S/C15H27F3N2O2/c1-11(2)8-20(10-15(16,17)18)14(22)9-19-7-5-4-6-13(19)12(3)21/h11-13,21H,4-10H2,1-3H3
InChIKeyXOUUIAURVZPSJY-UHFFFAOYSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 111106932) is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CN1CCCCC1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XOUUIAURVZPSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O2/c1-11(2)8-20(10-15(16,17)18)14(22)9-19-7-5-4-6-13(19)12(3)21/h11-13,21H,4-10H2,1-3H3.
What are the key properties of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 324.39 g/mol, XLogP of 2.27, 6 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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111106932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).