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

C14H18F4N2 — CID 86810891

IUPAC1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H18F4N2/c1-19(2)11-5-7-20(8-6-11)13-4-3-10(15)9-12(13)14(16,17)18/h3-4,9,11H,5-8H2,1-2H3
InChIKeyGLVVDRUARJWCFC-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.37
Rot. Bonds2

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

1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 86810891) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
PubChem CID86810891
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(c2ccc(F)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H18F4N2/c1-19(2)11-5-7-20(8-6-11)13-4-3-10(15)9-12(13)14(16,17)18/h3-4,9,11H,5-8H2,1-2H3
InChIKeyGLVVDRUARJWCFC-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine (CID 86810891) is 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(c2ccc(F)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is GLVVDRUARJWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-19(2)11-5-7-20(8-6-11)13-4-3-10(15)9-12(13)14(16,17)18/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine?
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 290.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(trifluoromethyl)phenyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 86810891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).