1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C10H17F3N2O2 — CID 80707710

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1(O)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-9(17)2-4-15(5-3-9)8(16)6-14-7-10(11,12)13/h14,17H,2-7H2,1H3
InChIKeyAVKNDMVLVLTGQC-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.51
Rot. Bonds3

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 80707710) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID80707710
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC1(O)CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-9(17)2-4-15(5-3-9)8(16)6-14-7-10(11,12)13/h14,17H,2-7H2,1H3
InChIKeyAVKNDMVLVLTGQC-UHFFFAOYSA-N
XLogP0.51
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 80707710) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is CC1(O)CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is AVKNDMVLVLTGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(17)2-4-15(5-3-9)8(16)6-14-7-10(11,12)13/h14,17H,2-7H2,1H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 80707710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).