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

C12H21F3N2O2 — CID 95765101

IUPAC2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCC[C@H]1CCO
InChIInChI=1S/C12H21F3N2O2/c1-16(9-12(13,14)15)11(19)8-17-6-3-2-4-10(17)5-7-18/h10,18H,2-9H2,1H3/t10-/m0/s1
InChIKeyGUVMQPZPBMRSRK-JTQLQIEISA-N
MW282.31 g/mol
LogP1.24
Rot. Bonds5

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

2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95765101) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95765101
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CN1CCCC[C@H]1CCO
InChIInChI=1S/C12H21F3N2O2/c1-16(9-12(13,14)15)11(19)8-17-6-3-2-4-10(17)5-7-18/h10,18H,2-9H2,1H3/t10-/m0/s1
InChIKeyGUVMQPZPBMRSRK-JTQLQIEISA-N
XLogP1.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 72137291
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 60690406
2,2,2-Trifluoro-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60999970
4,4,4-Trifluoro-1-[2-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 65710970
2-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 71999951
1-[2-(Hydroxymethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261604
1-[2-(2-Hydroxyethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261690
3,3,3-Trifluoro-1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79549257
2-Amino-3,3,3-trifluoro-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 79797586
2,2,2-trifluoro-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 84429930
2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 95765100
2-[(2R)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 97572401

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 95765101) is 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CN1CCCC[C@H]1CCO.
What is the InChIKey of 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GUVMQPZPBMRSRK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-16(9-12(13,14)15)11(19)8-17-6-3-2-4-10(17)5-7-18/h10,18H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95765101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).