1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C10H17F3N2O — CID 78914825

IUPAC1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1CCCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-8-4-2-3-5-15(8)9(16)6-14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyCIPUEFKIDNOHIK-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.54
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78914825) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78914825
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1CCCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-8-4-2-3-5-15(8)9(16)6-14-7-10(11,12)13/h8,14H,2-7H2,1H3
InChIKeyCIPUEFKIDNOHIK-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79005743
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78992345
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
N-[[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 78933697
1-[(2S)-2-methylpiperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439792
N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 78958215
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 78914825) is 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CC1CCCCN1C(=O)CNCC(F)(F)F.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is CIPUEFKIDNOHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-8-4-2-3-5-15(8)9(16)6-14-7-10(11,12)13/h8,14H,2-7H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 238.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78914825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).