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

C14H24F3NO — CID 176832671

IUPAC2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one
SMILESCC1NC(C(=O)C(C)(C)C)C(C)C(C)C1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-7-8(2)11(12(19)13(4,5)6)18-9(3)10(7)14(15,16)17/h7-11,18H,1-6H3
InChIKeyUBVBBTUQQFGTLE-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.41
Rot. Bonds1

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

2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one (PubChem CID 176832671) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one
PubChem CID176832671
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one
SMILESCC1NC(C(=O)C(C)(C)C)C(C)C(C)C1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-7-8(2)11(12(19)13(4,5)6)18-9(3)10(7)14(15,16)17/h7-11,18H,1-6H3
InChIKeyUBVBBTUQQFGTLE-UHFFFAOYSA-N
XLogP3.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one (CID 176832671) is 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one is CC1NC(C(=O)C(C)(C)C)C(C)C(C)C1C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
The InChIKey is UBVBBTUQQFGTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-7-8(2)11(12(19)13(4,5)6)18-9(3)10(7)14(15,16)17/h7-11,18H,1-6H3.
What are the key properties of 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one?
2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one has a molecular weight of 279.35 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3,4,6-trimethyl-5-(trifluoromethyl)piperidin-2-yl]propan-1-one is sourced from PubChem (CID 176832671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).