2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone

C15H19F3N2O2 — CID 171392213

IUPAC2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(C(F)(F)F)c(N)c2)C1
InChIInChI=1S/C15H19F3N2O2/c1-10-3-2-6-20(8-10)14(21)9-22-11-4-5-12(13(19)7-11)15(16,17)18/h4-5,7,10H,2-3,6,8-9,19H2,1H3
InChIKeyHICCULSIFGHPEB-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.92
Rot. Bonds3

About 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone

2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 171392213) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID171392213
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)COc2ccc(C(F)(F)F)c(N)c2)C1
InChIInChI=1S/C15H19F3N2O2/c1-10-3-2-6-20(8-10)14(21)9-22-11-4-5-12(13(19)7-11)15(16,17)18/h4-5,7,10H,2-3,6,8-9,19H2,1H3
InChIKeyHICCULSIFGHPEB-UHFFFAOYSA-N
XLogP2.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 171392209
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
methyl 4-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 60624261
1-[(3S)-3-aminopiperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124593921
2-[3-[2-(3-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]acetic acid
CID 61398074
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124575482
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 5017264
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942
[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 62155715

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone (CID 171392213) is 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)COc2ccc(C(F)(F)F)c(N)c2)C1.
What is the InChIKey of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is HICCULSIFGHPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-10-3-2-6-20(8-10)14(21)9-22-11-4-5-12(13(19)7-11)15(16,17)18/h4-5,7,10H,2-3,6,8-9,19H2,1H3.
What are the key properties of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone?
2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 316.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 171392213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).