2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one

C14H24F3NO — CID 126750475

IUPAC2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(C1CCN(C(=O)C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-5-11(14(15,16)17)10-6-8-18(9-7-10)12(19)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCXCFVJVLEBTCIU-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.86
Rot. Bonds2

About 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 126750475) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one
PubChem CID126750475
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(C1CCN(C(=O)C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-5-11(14(15,16)17)10-6-8-18(9-7-10)12(19)13(2,3)4/h10-11H,5-9H2,1-4H3
InChIKeyCXCFVJVLEBTCIU-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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Related Compounds

1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
2,2,2-Trifluoro-1-(cis-3-fluoro-4,5-dimethylpiperidin-1-yl)ethan-1-one
CID 134827889
2,2,2-Trifluoro-1-(cis-3-fluoro-5-methylpiperidin-1-yl)ethan-1-one
CID 134827930
1-(4-Cyclopropylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750056
1-(7,7-Difluoro-6-methyl-3-azabicyclo[4.1.0]heptan-3-yl)ethanone
CID 128496462
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
1-(cis-3,5-Difluoro-4-methylpiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827912
2,2,2-Trifluoro-1-(cis-4-fluoro-3-methylpiperidin-1-yl)ethan-1-one
CID 134827923
2,2,2-Trifluoro-1-(cis-3-fluoro-4-methylpiperidin-1-yl)ethan-1-one
CID 134827931
2,2,2-trifluoro-1-[(3S,5R)-3-fluoro-5-methylpiperidin-1-yl]ethanone
CID 177853588
Ethane;1-(4-propylpiperidin-1-yl)ethanone
CID 144087559
1-Isobutyl-4-(1-{[1-(trifluoromethyl)cyclopropyl]carbonyl}-3-pyrrolidinyl)piperidine
CID 45180678

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one (CID 126750475) is 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one is CCC(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-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is CXCFVJVLEBTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-5-11(14(15,16)17)10-6-8-18(9-7-10)12(19)13(2,3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 279.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).