1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one

C12H21F3N2O — CID 83992307

IUPAC1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-3-9-5-10(16-8-12(13,14)15)7-17(6-9)11(18)4-2/h9-10,16H,3-8H2,1-2H3
InChIKeyLINKNIRNFJBJJQ-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds4

About 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one

1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one (PubChem CID 83992307) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
PubChem CID83992307
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-3-9-5-10(16-8-12(13,14)15)7-17(6-9)11(18)4-2/h9-10,16H,3-8H2,1-2H3
InChIKeyLINKNIRNFJBJJQ-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-diethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992094
2-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992292
1-[3-ethyl-5-(ethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83990412
1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992169
1-[3-ethyl-5-(propylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83991039
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767
5-ethyl-1-(3-methylcyclobutyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992503
methyl 3-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propanoate
CID 83992296
1-[3-(2-hydroxybutyl)-5-(3-methylbutylamino)piperidin-1-yl]propan-1-one
CID 83995783
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992106
methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one (CID 83992307) is 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CC(CC)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is LINKNIRNFJBJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-9-5-10(16-8-12(13,14)15)7-17(6-9)11(18)4-2/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one?
1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 266.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83992307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).