1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one

C12H20F3NO2 — CID 118084461

IUPAC1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESCC(C)(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)8-4-6-16(7-5-8)10(18)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3
InChIKeyHXQCJLGBDPDFOA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.19
Rot. Bonds1

About 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one

1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one (PubChem CID 118084461) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
PubChem CID118084461
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESCC(C)(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)8-4-6-16(7-5-8)10(18)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3
InChIKeyHXQCJLGBDPDFOA-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(2R)-1-(4-butan-2-yl-4-fluoropiperidin-1-yl)-2-hydroxypropan-1-one
CID 89796450
3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
(2R)-1-(4-fluoro-4-propan-2-ylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 89970284
[5-Fluoro-1-(2-hydroxyacetyl)-3,3-dimethylpiperidin-4-yl] hypoiodite
CID 121246756
1-(5-Fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl)-2-hydroxyethanone
CID 121261815
1-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261832
1-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-2-hydroxyethanone
CID 121261835
1-(5-Fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl)-2-hydroxyethanone
CID 121265234
1-[(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
CID 121265341
1-[(4R,5S)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-2-hydroxyethanone
CID 121265347

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one (CID 118084461) is 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one is CC(C)(C)C1CCN(C(=O)C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
The InChIKey is HXQCJLGBDPDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,3)8-4-6-16(7-5-8)10(18)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one?
1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one has a molecular weight of 267.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one is sourced from PubChem (CID 118084461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).