(4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate

C8H12F3NO3 — CID 153483401

IUPAC(4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC1(O)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO3/c1-7(14)2-4-12(5-3-7)15-6(13)8(9,10)11/h14H,2-5H2,1H3
InChIKeyOZTBYFNLKDCJAP-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.85
Rot. Bonds1

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

(4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 153483401) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID153483401
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC1(O)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO3/c1-7(14)2-4-12(5-3-7)15-6(13)8(9,10)11/h14H,2-5H2,1H3
InChIKeyOZTBYFNLKDCJAP-UHFFFAOYSA-N
XLogP0.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 22061292
(4-Methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 69043204
[4-(2-Bromoethynyl)-4-hydroxypiperidin-1-yl] 2,2,2-trifluoroacetate
CID 140904855
4-Methylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 146473357
[4-(Cyanomethyl)-4-hydroxypiperidin-1-yl] 2,2,2-trifluoroacetate
CID 164575228
(3,5-Difluoro-4-hydroxy-3-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 166546783
3-Fluoro-1-hydroxy-3,4-dimethylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 176018469
3,3,3-Trifluoro-2-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]propanoic acid
CID 81097895
3-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 112737743
3-(4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl)propanoic acid
CID 121203303

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate (CID 153483401) is (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate is CC1(O)CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is OZTBYFNLKDCJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-7(14)2-4-12(5-3-7)15-6(13)8(9,10)11/h14H,2-5H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate?
(4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 227.18 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 153483401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).