2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one

C10H17F3N2O2 — CID 102957180

IUPAC2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC1CCN(C(=O)C(C)(N)C(F)(F)F)CC1O
InChIInChI=1S/C10H17F3N2O2/c1-6-3-4-15(5-7(6)16)8(17)9(2,14)10(11,12)13/h6-7,16H,3-5,14H2,1-2H3
InChIKeyZUSGBIPFNVMKJO-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.50
Rot. Bonds1

About 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one

2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 102957180) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
PubChem CID102957180
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
SMILESCC1CCN(C(=O)C(C)(N)C(F)(F)F)CC1O
InChIInChI=1S/C10H17F3N2O2/c1-6-3-4-15(5-7(6)16)8(17)9(2,14)10(11,12)13/h6-7,16H,3-5,14H2,1-2H3
InChIKeyZUSGBIPFNVMKJO-UHFFFAOYSA-N
XLogP0.50
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one (CID 102957180) is 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one is CC1CCN(C(=O)C(C)(N)C(F)(F)F)CC1O.
What is the InChIKey of 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is ZUSGBIPFNVMKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-6-3-4-15(5-7(6)16)8(17)9(2,14)10(11,12)13/h6-7,16H,3-5,14H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one?
2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 102957180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).