1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone

C11H18F3NO2 — CID 126758358

IUPAC1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone
SMILESCCC(O)(C1CCN(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-3-10(17,11(12,13)14)9-4-6-15(7-5-9)8(2)16/h9,17H,3-7H2,1-2H3
InChIKeyQWYXJORFWZJTTN-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.95
Rot. Bonds2

About 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone

1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone (PubChem CID 126758358) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone
PubChem CID126758358
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone
SMILESCCC(O)(C1CCN(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-3-10(17,11(12,13)14)9-4-6-15(7-5-9)8(2)16/h9,17H,3-7H2,1-2H3
InChIKeyQWYXJORFWZJTTN-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10539749
(2S)-3,3,3-trifluoro-2-hydroxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 10825720
2,2,2-Trifluoro-1-(3-propan-2-ylpiperidin-1-yl)ethanone
CID 58901632
1-(4-Ethyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 59083778
1-[4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 67402368
2,2,2-Trifluoro-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707610
1,1,1-Trifluoro-2-[1-(2-methylpropyl)piperidin-4-yl]propan-2-ol
CID 83983137
Tert-butyl 4-hydroxy-4-(3,3,3-trifluoro-2-methylpropyl)piperidine-1-carboxylate
CID 90447920
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-[4-(Difluoromethyl)-4-hydroxypiperidin-1-yl]ethanone
CID 118929016
1-[3-Hydroxy-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 122533809
1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750059

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone (CID 126758358) is 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone is CCC(O)(C1CCN(C(C)=O)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone?
The InChIKey is QWYXJORFWZJTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-3-10(17,11(12,13)14)9-4-6-15(7-5-9)8(2)16/h9,17H,3-7H2,1-2H3.
What are the key properties of 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone?
1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone has a molecular weight of 253.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).