1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C10H17F3N2O2 — CID 103900936

IUPAC1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1CCN(C(=O)CNCC(F)(F)F)CC1O
InChIInChI=1S/C10H17F3N2O2/c1-7-2-3-15(5-8(7)16)9(17)4-14-6-10(11,12)13/h7-8,14,16H,2-6H2,1H3
InChIKeyWVTFGKPUWPBUSG-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.37
Rot. Bonds3

About 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 103900936) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID103900936
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1CCN(C(=O)CNCC(F)(F)F)CC1O
InChIInChI=1S/C10H17F3N2O2/c1-7-2-3-15(5-8(7)16)9(17)4-14-6-10(11,12)13/h7-8,14,16H,2-6H2,1H3
InChIKeyWVTFGKPUWPBUSG-UHFFFAOYSA-N
XLogP0.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53590642
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 53616550
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53619835
2,2,2-trifluoro-N-[2-hydroxy-2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 117855109
N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
CID 138612292
2,2,2-trifluoro-N-[2-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)ethyl]acetamide
CID 138612298
Ethane;2-(4-ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 156799038
2-(4-Ethyl-3,3-difluoropiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 156799039
2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51080741
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53572841
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 53605602
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 53617858

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 103900936) is 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CC1CCN(C(=O)CNCC(F)(F)F)CC1O.
What is the InChIKey of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is WVTFGKPUWPBUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7-2-3-15(5-8(7)16)9(17)4-14-6-10(11,12)13/h7-8,14,16H,2-6H2,1H3.
What are the key properties of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 103900936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).