1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

C11H15F6NO — CID 155470023

IUPAC1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H15F6NO/c1-2-7-3-5-18(6-4-7)9(19)8(10(12,13)14)11(15,16)17/h7-8H,2-6H2,1H3
InChIKeyYEEOBJJVFLMFMV-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.38
Rot. Bonds2

About 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one

1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (PubChem CID 155470023) has the molecular formula C11H15F6NO and a molecular weight of 291.24 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
PubChem CID155470023
Molecular FormulaC11H15F6NO
Molecular Weight291.24 g/mol
Exact Mass291.11
IUPAC Name1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
SMILESCCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H15F6NO/c1-2-7-3-5-18(6-4-7)9(19)8(10(12,13)14)11(15,16)17/h7-8H,2-6H2,1H3
InChIKeyYEEOBJJVFLMFMV-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310424
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308950
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310265
1-[3-(2-chloroethyl)pyrrolidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103311097
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103352163
1-(3-amino-4-methylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103310372
2-amino-1-(4-ethylazepan-1-yl)-3,3-dimethylbutan-1-one
CID 77024566
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one
CID 176982005
3-(4-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821371
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one (CID 155470023) is 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is CCC1CCN(C(=O)C(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
The InChIKey is YEEOBJJVFLMFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO/c1-2-7-3-5-18(6-4-7)9(19)8(10(12,13)14)11(15,16)17/h7-8H,2-6H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one?
1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one has a molecular weight of 291.24 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one is sourced from PubChem (CID 155470023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).