[2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C16H24F3N3O — CID 58873255

IUPAC[2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCCOC1CCN(c2nc(C(F)(F)F)ccc2CN)CC1
InChIInChI=1S/C16H24F3N3O/c1-2-3-10-23-13-6-8-22(9-7-13)15-12(11-20)4-5-14(21-15)16(17,18)19/h4-5,13H,2-3,6-11,20H2,1H3
InChIKeyIYMFXXQBEJGQNT-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.34
Rot. Bonds6

About [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873255) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873255
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC Name[2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCCOC1CCN(c2nc(C(F)(F)F)ccc2CN)CC1
InChIInChI=1S/C16H24F3N3O/c1-2-3-10-23-13-6-8-22(9-7-13)15-12(11-20)4-5-14(21-15)16(17,18)19/h4-5,13H,2-3,6-11,20H2,1H3
InChIKeyIYMFXXQBEJGQNT-UHFFFAOYSA-N
XLogP3.34
TPSA51.38 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 ≤ 53.34
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)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873255) is [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is CCCCOC1CCN(c2nc(C(F)(F)F)ccc2CN)CC1.
What is the InChIKey of [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is IYMFXXQBEJGQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-2-3-10-23-13-6-8-22(9-7-13)15-12(11-20)4-5-14(21-15)16(17,18)19/h4-5,13H,2-3,6-11,20H2,1H3.
What are the key properties of [2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(4-butoxypiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 331.38 g/mol, XLogP of 3.34, 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)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).