4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol

C9H13F6NO2 — CID 102722260

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol
SMILESOC1(COC(C(F)(F)F)C(F)(F)F)CCNCC1
InChIInChI=1S/C9H13F6NO2/c10-8(11,12)6(9(13,14)15)18-5-7(17)1-3-16-4-2-7/h6,16-17H,1-5H2
InChIKeyJOENAYLSLWKIIP-UHFFFAOYSA-N
MW281.20 g/mol
LogP1.61
Rot. Bonds3

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol (PubChem CID 102722260) has the molecular formula C9H13F6NO2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol
PubChem CID102722260
Molecular FormulaC9H13F6NO2
Molecular Weight281.20 g/mol
Exact Mass281.09
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol
SMILESOC1(COC(C(F)(F)F)C(F)(F)F)CCNCC1
InChIInChI=1S/C9H13F6NO2/c10-8(11,12)6(9(13,14)15)18-5-7(17)1-3-16-4-2-7/h6,16-17H,1-5H2
InChIKeyJOENAYLSLWKIIP-UHFFFAOYSA-N
XLogP1.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,4S)-4-(trifluoromethyl)piperidine-3,4-diol hydrochloride
CID 154577080
(3S,4R)-4-trifluoromethyl-piperidine-3,4-diol
CID 57845299
(3R,4S)-4-trifluoromethylpiperidin-3,4-diol
CID 57845325
(3R,4S)-1-methanidyl-4-(trifluoromethyl)piperidin-1-ium-3,4-diol
CID 60043748
[4-(Hydroxymethyl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 67270918
4-(Trifluoromethyl)piperidine-3,4-diol
CID 70672276
[(3R,4S)-3-Fluoro-4-methoxypiperidin-4-yl]methanol
CID 89413910
1,5,5-Trifluoro-2-morpholin-2-ylpentan-2-ol
CID 142775664
(4R)-4-(trifluoromethyl)piperidine-3,4-diol
CID 143125030
Oxolane;4-(trifluoromethyl)piperidin-4-ol
CID 175226361
3-[[4-(Trifluoromethyl)piperidin-4-yl]oxymethyl]oxetan-3-ol
CID 176088764
2-Methyl-1-[4-(trifluoromethyl)piperidin-4-yl]oxypropan-2-ol
CID 176088784

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol (CID 102722260) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol is OC1(COC(C(F)(F)F)C(F)(F)F)CCNCC1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol?
The InChIKey is JOENAYLSLWKIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6NO2/c10-8(11,12)6(9(13,14)15)18-5-7(17)1-3-16-4-2-7/h6,16-17H,1-5H2.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol has a molecular weight of 281.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)piperidin-4-ol is sourced from PubChem (CID 102722260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).