1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one

C11H18F3NO — CID 116568698

IUPAC1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one
SMILESCCC1(C(=O)CCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H18F3NO/c1-2-10(5-3-7-15-8-10)9(16)4-6-11(12,13)14/h15H,2-8H2,1H3
InChIKeyATTQIJSKAYNGJP-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.68
Rot. Bonds4

About 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one

1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 116568698) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one
PubChem CID116568698
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one
SMILESCCC1(C(=O)CCC(F)(F)F)CCCNC1
InChIInChI=1S/C11H18F3NO/c1-2-10(5-3-7-15-8-10)9(16)4-6-11(12,13)14/h15H,2-8H2,1H3
InChIKeyATTQIJSKAYNGJP-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Ditert-butyl-3-methylpiperidin-4-one
CID 76311861
3-(Trifluoracetyl)piperidine
CID 49759204
1,1-Difluoro-1-piperidin-4-ylpropan-2-one
CID 105436777
2,2-Dimethyl-1-[3-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 121368340
1-(5,5-Difluoropiperidin-3-yl)ethanone
CID 121485777
1-[4-(3-Fluoropropyl)piperidin-4-yl]ethanone
CID 145418526
1-[4-(Trifluoromethyl)piperidin-4-yl]propan-1-one
CID 146551401
1-[4-(2,2-Difluoroethyl)piperidin-4-yl]-2-methylpropan-1-one
CID 146551408
2-Methyl-1-[3-(trifluoromethyl)piperidin-3-yl]propan-1-one
CID 146551445
1-(4,4-Difluoropiperidin-3-yl)-2-methylpropan-1-one
CID 146551835
1-[3-(2,2-Difluoroethyl)piperidin-3-yl]-2-methylpropan-1-one
CID 146551836
2,2-Difluoro-1-piperidin-3-ylpropan-1-one
CID 164110369

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one (CID 116568698) is 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one is CCC1(C(=O)CCC(F)(F)F)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is ATTQIJSKAYNGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-10(5-3-7-15-8-10)9(16)4-6-11(12,13)14/h15H,2-8H2,1H3.
What are the key properties of 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one?
1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116568698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).