1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one

C11H16F3NO2 — CID 126758814

IUPAC1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one
SMILESCC(=O)N1CCC(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c1-8(16)15-6-3-9(4-7-15)10(17)2-5-11(12,13)14/h9H,2-7H2,1H3
InChIKeyGBUIQCAIHASUCZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.16
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one

1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 126758814) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one
PubChem CID126758814
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one
SMILESCC(=O)N1CCC(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO2/c1-8(16)15-6-3-9(4-7-15)10(17)2-5-11(12,13)14/h9H,2-7H2,1H3
InChIKeyGBUIQCAIHASUCZ-UHFFFAOYSA-N
XLogP2.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-propyl-N-(trifluoromethyl)pentanamide
CID 44550873
1-(cis-4-Butyl-3-fluoropiperidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 134827892
2,2,2-Trifluoro-1-[4-(4-methylpentyl)piperidin-1-yl]ethanone
CID 20811814
2,2,2-Trifluoro-1-[4-(3-methylbutyl)piperidin-1-yl]ethanone
CID 20811816
3-Methyl-1-(trifluoroacetyl)piperidin-4-one
CID 22728862
1-(4-Butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 22970028
2,2,2-Trifluoro-1-[1-(2,2,2-trifluoroacetyl)-4-piperidyl]ethanone
CID 45257661
2,2,2-Trifluoro-1-[1-(2,2,2-trifluoroacetyl)-3-piperidyl]ethanone
CID 49759485
2,2-Difluoro-4-methyl-1-piperidin-1-ylpentan-1-one
CID 57700661
1-(4-Acetylpiperidin-1-yl)-2-fluoroethanone
CID 57741728
2,2,2-Trifluoro-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone
CID 57812983
2,2,2-Trifluoro-1-[4-(2-methylpropyl)piperidin-1-yl]ethanone
CID 57812999

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one (CID 126758814) is 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one is CC(=O)N1CCC(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is GBUIQCAIHASUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-8(16)15-6-3-9(4-7-15)10(17)2-5-11(12,13)14/h9H,2-7H2,1H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one?
1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 251.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 126758814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).