2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide

C9H15F3N2O — CID 28606319

IUPAC2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide
SMILESO=C(NCCC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h7,13H,1-6H2,(H,14,15)
InChIKeyOHGHYEYSIBAHFD-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.05
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide

2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide (PubChem CID 28606319) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide
PubChem CID28606319
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide
SMILESO=C(NCCC1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h7,13H,1-6H2,(H,14,15)
InChIKeyOHGHYEYSIBAHFD-UHFFFAOYSA-N
XLogP1.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide (CID 28606319) is 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide is O=C(NCCC1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide?
The InChIKey is OHGHYEYSIBAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)8(15)14-6-3-7-1-4-13-5-2-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide?
2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-piperidin-4-ylethyl)acetamide is sourced from PubChem (CID 28606319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).