1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone

C10H16F3NO — CID 126758683

IUPAC1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCC1(C(F)(F)F)CCN(C(C)=O)CC1
InChIInChI=1S/C10H16F3NO/c1-3-9(10(11,12)13)4-6-14(7-5-9)8(2)15/h3-7H2,1-2H3
InChIKeyOSYNAIFWXRSVGK-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.59
Rot. Bonds1

About 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone

1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 126758683) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID126758683
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCC1(C(F)(F)F)CCN(C(C)=O)CC1
InChIInChI=1S/C10H16F3NO/c1-3-9(10(11,12)13)4-6-14(7-5-9)8(2)15/h3-7H2,1-2H3
InChIKeyOSYNAIFWXRSVGK-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
2-chloro-1-[3-(hydroxymethyl)-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 121203200
1-(4-ethyl-4-methoxypiperidin-1-yl)ethanone
CID 91369104
4-(aminomethyl)-N-propyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 165488012
1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
CID 145315746
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde
CID 170137640
propane;1-pyrrolidin-1-ylethanone
CID 143432619
1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
1-(3-ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 168923326

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 126758683) is 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone is CCC1(C(F)(F)F)CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is OSYNAIFWXRSVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-3-9(10(11,12)13)4-6-14(7-5-9)8(2)15/h3-7H2,1-2H3.
What are the key properties of 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 223.24 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).