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

C15H16F6N2O2 — CID 171392209

IUPAC2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNc1cc(OCC(=O)N2CCC(C(F)(F)F)CC2)ccc1C(F)(F)F
InChIInChI=1S/C15H16F6N2O2/c16-14(17,18)9-3-5-23(6-4-9)13(24)8-25-10-1-2-11(12(22)7-10)15(19,20)21/h1-2,7,9H,3-6,8,22H2
InChIKeyXIKFBHCBIXEPLY-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.47
Rot. Bonds3

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

2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 171392209) has the molecular formula C15H16F6N2O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID171392209
Molecular FormulaC15H16F6N2O2
Molecular Weight370.29 g/mol
Exact Mass370.11
IUPAC Name2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESNc1cc(OCC(=O)N2CCC(C(F)(F)F)CC2)ccc1C(F)(F)F
InChIInChI=1S/C15H16F6N2O2/c16-14(17,18)9-3-5-23(6-4-9)13(24)8-25-10-1-2-11(12(22)7-10)15(19,20)21/h1-2,7,9H,3-6,8,22H2
InChIKeyXIKFBHCBIXEPLY-UHFFFAOYSA-N
XLogP3.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.47
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-(3-methylpiperidin-1-yl)ethanone
CID 171392213
2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 62090187
1-(4-hydroxypiperidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 110895179
2-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]acetamide
CID 56815970
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
methyl 1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidine-4-carboxylate
CID 84603993
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548748
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120815169
2-(4-fluorophenoxy)-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78898955
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533445

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 171392209) is 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is Nc1cc(OCC(=O)N2CCC(C(F)(F)F)CC2)ccc1C(F)(F)F.
What is the InChIKey of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is XIKFBHCBIXEPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O2/c16-14(17,18)9-3-5-23(6-4-9)13(24)8-25-10-1-2-11(12(22)7-10)15(19,20)21/h1-2,7,9H,3-6,8,22H2.
What are the key properties of 2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[3-amino-4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 370.29 g/mol, XLogP of 3.47, 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-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 171392209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).