1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one

C13H22F3NO — CID 176833568

IUPAC1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
SMILESCC1C(C(=O)C(C)(C)C)CNC(C(F)(F)F)C1C
InChIInChI=1S/C13H22F3NO/c1-7-8(2)10(13(14,15)16)17-6-9(7)11(18)12(3,4)5/h7-10,17H,6H2,1-5H3
InChIKeyBOABBBPLSXSXAG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.02
Rot. Bonds1

About 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one

1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one (PubChem CID 176833568) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
PubChem CID176833568
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one
SMILESCC1C(C(=O)C(C)(C)C)CNC(C(F)(F)F)C1C
InChIInChI=1S/C13H22F3NO/c1-7-8(2)10(13(14,15)16)17-6-9(7)11(18)12(3,4)5/h7-10,17H,6H2,1-5H3
InChIKeyBOABBBPLSXSXAG-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one (CID 176833568) is 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one is CC1C(C(=O)C(C)(C)C)CNC(C(F)(F)F)C1C.
What is the InChIKey of 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
The InChIKey is BOABBBPLSXSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-7-8(2)10(13(14,15)16)17-6-9(7)11(18)12(3,4)5/h7-10,17H,6H2,1-5H3.
What are the key properties of 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one?
1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one has a molecular weight of 265.32 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethyl-6-(trifluoromethyl)piperidin-3-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176833568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).