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

C11H19F3N2O2 — CID 111107052

IUPAC2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)C1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(17)9-4-2-3-5-16(9)6-10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyQRYRIXSBAHPTSE-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds4

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

2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111107052) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111107052
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)C1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-8(17)9-4-2-3-5-16(9)6-10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyQRYRIXSBAHPTSE-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propylacetamide
CID 111107007
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406
N-cyclopentyl-2-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 95321220
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63848368
tert-butyl 2-[2-(1-hydroxyethyl)piperidin-1-yl]acetate
CID 111106840
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107076
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 111487922
N-[[(5R,7R)-3-bromo-1-adamantyl]methyl]-2-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]acetamide
CID 124857570
N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106823
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 111107052) is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(O)C1CCCCN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is QRYRIXSBAHPTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(17)9-4-2-3-5-16(9)6-10(18)15-7-11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18).
What are the key properties of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111107052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).