(E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine

C₁₄H₁₇F₃N₂O — CID 71653711

About (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine

(E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 71653711) has the molecular formula C₁₄H₁₇F₃N₂O and a molecular weight of 286.30 g/mol. Its IUPAC name is (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

• Compound Name: (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
• PubChem CID: 71653711
• Molecular Formula: C₁₄H₁₇F₃N₂O
• Molecular Weight: 286.30 g/mol
• Exact Mass: 286.13
• IUPAC Name: (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
• SMILES: CN1CCCC(O/N=C/c2cccc(C(F)(F)F)c2)C1
• InChI: InChI=1S/C14H17F3N2O/c1-19-7-3-6-13(10-19)20-18-9-11-4-2-5-12(8-11)14(15,16)17/h2,4-5,8-9,13H,3,6-7,10H2,1H3/b18-9+
• InChIKey: LXOHSHNIWNUDBG-GIJQJNRQSA-N
• XLogP: 3.15
• TPSA: 24.83 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.30
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?

The IUPAC name of (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine (CID 71653711) is (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine.

What is the SMILES notation for (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?

The canonical SMILES for (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is CN1CCCC(O/N=C/c2cccc(C(F)(F)F)c2)C1.

What is the InChIKey of (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?

The InChIKey is LXOHSHNIWNUDBG-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-19-7-3-6-13(10-19)20-18-9-11-4-2-5-12(8-11)14(15,16)17/h2,4-5,8-9,13H,3,6-7,10H2,1H3/b18-9+.

What are the key properties of (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine?

(E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 286.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 71653711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71653711 — identifiers, structure, computed properties (public domain)

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