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

C11H19F3N2O2 — CID 110898903

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCCC1CO
InChIInChI=1S/C11H19F3N2O2/c1-15(8-11(12,13)14)10(18)6-16-5-3-2-4-9(16)7-17/h9,17H,2-8H2,1H3
InChIKeyVXZSXJFZFQAKLJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.85
Rot. Bonds4

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

2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 110898903) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID110898903
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCCC1CO
InChIInChI=1S/C11H19F3N2O2/c1-15(8-11(12,13)14)10(18)6-16-5-3-2-4-9(16)7-17/h9,17H,2-8H2,1H3
InChIKeyVXZSXJFZFQAKLJ-UHFFFAOYSA-N
XLogP0.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 110898903) is 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VXZSXJFZFQAKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-15(8-11(12,13)14)10(18)6-16-5-3-2-4-9(16)7-17/h9,17H,2-8H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 110898903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).