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

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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).