1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine

C14H18F4N2 — CID 63036677

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(C(F)(F)F)ccc2F)C(C)C1
InChIInChI=1S/C14H18F4N2/c1-9-7-11(19-2)5-6-20(9)13-8-10(14(16,17)18)3-4-12(13)15/h3-4,8-9,11,19H,5-7H2,1-2H3
InChIKeyVLLBTOINZSVSBX-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.42
Rot. Bonds2

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine

1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine (PubChem CID 63036677) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine
PubChem CID63036677
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine
SMILESCNC1CCN(c2cc(C(F)(F)F)ccc2F)C(C)C1
InChIInChI=1S/C14H18F4N2/c1-9-7-11(19-2)5-6-20(9)13-8-10(14(16,17)18)3-4-12(13)15/h3-4,8-9,11,19H,5-7H2,1-2H3
InChIKeyVLLBTOINZSVSBX-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 63035988
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-methylpiperidin-4-amine
CID 54975831
2-(2,4-dimethylpiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 62330125
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 63035987
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
1-(4-methoxyphenyl)-N,2-dimethylpiperidin-4-amine
CID 54975421
2-(chloromethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpyrrolidine
CID 107304175
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
1-[1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978495
1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine
CID 54975874
[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride
CID 169489145
1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 174973052

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine (CID 63036677) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine is CNC1CCN(c2cc(C(F)(F)F)ccc2F)C(C)C1.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine?
The InChIKey is VLLBTOINZSVSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-9-7-11(19-2)5-6-20(9)13-8-10(14(16,17)18)3-4-12(13)15/h3-4,8-9,11,19H,5-7H2,1-2H3.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine?
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine has a molecular weight of 290.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 63036677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).