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

C16H24F3N3O — CID 67439775

IUPAC2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCCOC1CCN(c2nc(C(F)(F)F)ccc2NC)CC1
InChIInChI=1S/C16H24F3N3O/c1-3-4-11-23-12-7-9-22(10-8-12)15-13(20-2)5-6-14(21-15)16(17,18)19/h5-6,12,20H,3-4,7-11H2,1-2H3
InChIKeyAKKHFQSMAHPHCJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.93
Rot. Bonds6

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

2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 67439775) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
PubChem CID67439775
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC Name2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine
SMILESCCCCOC1CCN(c2nc(C(F)(F)F)ccc2NC)CC1
InChIInChI=1S/C16H24F3N3O/c1-3-4-11-23-12-7-9-22(10-8-12)15-13(20-2)5-6-14(21-15)16(17,18)19/h5-6,12,20H,3-4,7-11H2,1-2H3
InChIKeyAKKHFQSMAHPHCJ-UHFFFAOYSA-N
XLogP3.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine (CID 67439775) is 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine is CCCCOC1CCN(c2nc(C(F)(F)F)ccc2NC)CC1.
What is the InChIKey of 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is AKKHFQSMAHPHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-3-4-11-23-12-7-9-22(10-8-12)15-13(20-2)5-6-14(21-15)16(17,18)19/h5-6,12,20H,3-4,7-11H2,1-2H3.
What are the key properties of 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine?
2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 331.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxypiperidin-1-yl)-N-methyl-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 67439775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).