(3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate

C8H10F5NO3 — CID 166546783

IUPAC(3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC1(F)CN(OC(=O)C(F)(F)F)CC(F)C1O
InChIInChI=1S/C8H10F5NO3/c1-7(10)3-14(2-4(9)5(7)15)17-6(16)8(11,12)13/h4-5,15H,2-3H2,1H3
InChIKeyBWPQSFCRZMGSLN-UHFFFAOYSA-N
MW263.16 g/mol
LogP0.75
Rot. Bonds1

About (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate

(3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 166546783) has the molecular formula C8H10F5NO3 and a molecular weight of 263.16 g/mol. Its IUPAC name is (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID166546783
Molecular FormulaC8H10F5NO3
Molecular Weight263.16 g/mol
Exact Mass263.06
IUPAC Name(3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC1(F)CN(OC(=O)C(F)(F)F)CC(F)C1O
InChIInChI=1S/C8H10F5NO3/c1-7(10)3-14(2-4(9)5(7)15)17-6(16)8(11,12)13/h4-5,15H,2-3H2,1H3
InChIKeyBWPQSFCRZMGSLN-UHFFFAOYSA-N
XLogP0.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-Difluoro-4-methoxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 138731944
(4-Hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 141179847
(4-Hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 153483401
1-Methylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 157142730
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl] 2,2,2-trifluoroacetate
CID 166546884
(3-Ethyl-4-hydroxypiperidin-1-yl) 2,2,2-trifluoroacetate
CID 172635435
3-Fluoro-1-hydroxy-3,4-dimethylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 176018469
3,5-Difluoro-3-methylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 176018522

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate (CID 166546783) is (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate is CC1(F)CN(OC(=O)C(F)(F)F)CC(F)C1O.
What is the InChIKey of (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is BWPQSFCRZMGSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO3/c1-7(10)3-14(2-4(9)5(7)15)17-6(16)8(11,12)13/h4-5,15H,2-3H2,1H3.
What are the key properties of (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
(3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 263.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 166546783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).