1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C12H20F3NO3 — CID 103209234

IUPAC1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCC1CN(C(=O)CCOCC(F)(F)F)CCC1O
InChIInChI=1S/C12H20F3NO3/c1-2-9-7-16(5-3-10(9)17)11(18)4-6-19-8-12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyDIXPGNSVQQOEQL-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.57
Rot. Bonds5

About 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103209234) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103209234
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCC1CN(C(=O)CCOCC(F)(F)F)CCC1O
InChIInChI=1S/C12H20F3NO3/c1-2-9-7-16(5-3-10(9)17)11(18)4-6-19-8-12(13,14)15/h9-10,17H,2-8H2,1H3
InChIKeyDIXPGNSVQQOEQL-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-Ethoxy-1-[3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 71981892
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 75392726
1-[(4S)-3,3-difluoro-4-hydroxypiperidin-1-yl]-3-methoxy-2,2-dimethylpropan-1-one
CID 164641026
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
1-(3-Acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 90951058
2,2-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112329170
4,4,4-Trifluoro-3-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 118902089
4,4,4-Trifluoro-3-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
CID 118906981
1-[(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-3-hydroxypropan-1-one
CID 121246971
(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121261796
(2R)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxy-2-methylpropan-1-one
CID 121261797
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-hydroxypropan-1-one
CID 121261806

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103209234) is 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is CCC1CN(C(=O)CCOCC(F)(F)F)CCC1O.
What is the InChIKey of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is DIXPGNSVQQOEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-2-9-7-16(5-3-10(9)17)11(18)4-6-19-8-12(13,14)15/h9-10,17H,2-8H2,1H3.
What are the key properties of 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 283.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103209234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).