2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine

C14H20F3N3O — CID 67439064

IUPAC2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCOC1CCN(c2nc(C(F)(F)F)ccc2NC)CC1
InChIInChI=1S/C14H20F3N3O/c1-3-21-10-6-8-20(9-7-10)13-11(18-2)4-5-12(19-13)14(15,16)17/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyCHDNVMJRUKXLND-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.15
Rot. Bonds4

About 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine

2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 67439064) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
PubChem CID67439064
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCOC1CCN(c2nc(C(F)(F)F)ccc2NC)CC1
InChIInChI=1S/C14H20F3N3O/c1-3-21-10-6-8-20(9-7-10)13-11(18-2)4-5-12(19-13)14(15,16)17/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyCHDNVMJRUKXLND-UHFFFAOYSA-N
XLogP3.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine (CID 67439064) is 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine is CCOC1CCN(c2nc(C(F)(F)F)ccc2NC)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is CHDNVMJRUKXLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-21-10-6-8-20(9-7-10)13-11(18-2)4-5-12(19-13)14(15,16)17/h4-5,10,18H,3,6-9H2,1-2H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 303.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67439064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).