chempirical

N-(2-Amino-4-trifluoromethylphenyl)piperidine

C12H15F3N2CAS 1496-40-8244.26 g/mol

Open in Covalent MOL file
NFFFH2N
Alkyl halidePrimary amineTertiary amine

Properties

Molecular formula
C12H15F3N2
Molar mass
244.26 g/mol
Exact mass
244.1187 Da
logP
3.28Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1496-40-8
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N
InChIKey
BERRRZOJDANPHE-UHFFFAOYSA-N
InChI
InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2

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Names and synonyms

1 names
  • 2-(Piperidin-1-yl)-5-(trifluoromethyl)aniline

Work with N-(2-Amino-4-trifluoromethylphenyl)piperidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline133184-80-297 % similar 3,4-Diaminobenzotrifluoride368-71-853 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine40832-82-452 % similar 2,5-Bis(trifluoromethyl)aniline328-93-850 % similar 2-(Piperidin-1-yl)aniline39643-31-750 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-647 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-647 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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