1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C11H19F3N2O2 — CID 103855465

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-10(18)16-4-1-2-9(7-16)3-5-17/h9,15,17H,1-8H2
InChIKeyOOVQVYNERNUHLS-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 103855465) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID103855465
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)N1CCCC(CCO)C1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-10(18)16-4-1-2-9(7-16)3-5-17/h9,15,17H,1-8H2
InChIKeyOOVQVYNERNUHLS-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71999950
2-[(4R)-3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 175626347
2-[4-(1,1-difluoro-3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 175626403
2-[3,3-difluoro-4-(3-methoxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 175635987
2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51080741
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 60642496
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62355949
N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 65536952
N-(2-hydroxyethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 65538681
2-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65904955
1-[4-(Methoxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958203
1-[4-(Hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79260821

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 103855465) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is OOVQVYNERNUHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-15-6-10(18)16-4-1-2-9(7-16)3-5-17/h9,15,17H,1-8H2.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 268.28 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 103855465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).