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

C13H22F3NO — CID 176832685

IUPAC1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1CNC(C(=O)C(C)(C)C)C(C)C1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-7-6-17-10(11(18)12(3,4)5)8(2)9(7)13(14,15)16/h7-10,17H,6H2,1-5H3
InChIKeyQGLZSDMXXPIQPB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.02
Rot. Bonds1

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

1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 176832685) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID176832685
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC1CNC(C(=O)C(C)(C)C)C(C)C1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-7-6-17-10(11(18)12(3,4)5)8(2)9(7)13(14,15)16/h7-10,17H,6H2,1-5H3
InChIKeyQGLZSDMXXPIQPB-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-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (CID 176832685) is 1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is CC1CNC(C(=O)C(C)(C)C)C(C)C1C(F)(F)F.
What is the InChIKey of 1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QGLZSDMXXPIQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-7-6-17-10(11(18)12(3,4)5)8(2)9(7)13(14,15)16/h7-10,17H,6H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-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-[3,5-dimethyl-4-(trifluoromethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176832685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).