4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine

C15H22F3N3 — CID 106747710

IUPAC4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCC1(CC)CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C15H22F3N3/c1-3-14(4-2)5-7-21(8-6-14)12-9-13(15(16,17)18)20-10-11(12)19/h9-10H,3-8,19H2,1-2H3
InChIKeyNGUSHZIMVHZXOD-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.09
Rot. Bonds3

About 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine

4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106747710) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106747710
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCC1(CC)CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C15H22F3N3/c1-3-14(4-2)5-7-21(8-6-14)12-9-13(15(16,17)18)20-10-11(12)19/h9-10H,3-8,19H2,1-2H3
InChIKeyNGUSHZIMVHZXOD-UHFFFAOYSA-N
XLogP4.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 106747710) is 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine is CCC1(CC)CCN(c2cc(C(F)(F)F)ncc2N)CC1.
What is the InChIKey of 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is NGUSHZIMVHZXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-3-14(4-2)5-7-21(8-6-14)12-9-13(15(16,17)18)20-10-11(12)19/h9-10H,3-8,19H2,1-2H3.
What are the key properties of 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine?
4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 301.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diethylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106747710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).