2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one

C14H24F3NO2 — CID 126750472

IUPAC2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCC(C1CCN(C(=O)C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-13(2,3)12(19)18-7-5-10(6-8-18)11(9-20-4)14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyCBNIPDFXAHPRDI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.10
Rot. Bonds3

About 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 126750472) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
PubChem CID126750472
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
SMILESCOCC(C1CCN(C(=O)C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO2/c1-13(2,3)12(19)18-7-5-10(6-8-18)11(9-20-4)14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyCBNIPDFXAHPRDI-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

4,4,4-Trifluoro-1-(3-tetrahydropyran-4-ylazetidin-1-yl)butan-1-one
CID 137499384
2-Ethyl-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
CID 53150825
1-[4-(2-Methoxyethyl)piperidin-1-YL]-4-methylpentan-1-one
CID 53150834
2-(oxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 58376679
2,2-Dimethyl-1-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 126750352
1-[4-(1,1,1-Trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]ethanone
CID 126758685
1-[4-(1,1,1-Trifluoro-3-hydroxypropan-2-yl)piperidin-1-yl]ethanone
CID 126758813
2-[1-[1-(Trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]ethoxy thiohypoiodite
CID 143581831
Ethane;2-methyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one
CID 145286961
2-Fluoro-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 145698207
1-[3-(Trifluoromethoxymethyl)piperidin-1-yl]ethanone
CID 146149879
3,3,3-Trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 155469693

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one (CID 126750472) is 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one is COCC(C1CCN(C(=O)C(C)(C)C)CC1)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CBNIPDFXAHPRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c1-13(2,3)12(19)18-7-5-10(6-8-18)11(9-20-4)14(15,16)17/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 295.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).