4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine

C13H19F3N4 — CID 106747334

IUPAC4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCN(C)C1CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C13H19F3N4/c1-19(2)9-3-5-20(6-4-9)11-7-12(13(14,15)16)18-8-10(11)17/h7-9H,3-6,17H2,1-2H3
InChIKeyZBBDSDJBHSJYCC-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.21
Rot. Bonds2

About 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine

4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106747334) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106747334
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCN(C)C1CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C13H19F3N4/c1-19(2)9-3-5-20(6-4-9)11-7-12(13(14,15)16)18-8-10(11)17/h7-9H,3-6,17H2,1-2H3
InChIKeyZBBDSDJBHSJYCC-UHFFFAOYSA-N
XLogP2.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine (CID 106747334) is 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine is CN(C)C1CCN(c2cc(C(F)(F)F)ncc2N)CC1.
What is the InChIKey of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZBBDSDJBHSJYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-19(2)9-3-5-20(6-4-9)11-7-12(13(14,15)16)18-8-10(11)17/h7-9H,3-6,17H2,1-2H3.
What are the key properties of 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine?
4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 288.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106747334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).