1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine

C9H15F3N2O — CID 177326169

IUPAC1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCCC(OC)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-7(13)14-5-3-4-8(6-14,15-2)9(10,11)12/h13H,3-6H2,1-2H3/b13-7+
InChIKeyVJGPIRAMLBZTKN-NTUHNPAUSA-N
MW224.23 g/mol
LogP2.03
Rot. Bonds1

About 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine

1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine (PubChem CID 177326169) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine.

Molecular Properties

Compound Name1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine
PubChem CID177326169
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine
SMILES[H]/N=C(\C)N1CCCC(OC)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O/c1-7(13)14-5-3-4-8(6-14,15-2)9(10,11)12/h13H,3-6H2,1-2H3/b13-7+
InChIKeyVJGPIRAMLBZTKN-NTUHNPAUSA-N
XLogP2.03
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 107392944
5-(3-Methoxy-3-methylpiperidin-1-yl)pentanimidamide
CID 107392918
4-(3-Methoxy-3-methylpiperidin-1-yl)butanimidamide
CID 107392930
Cyclopropyl-(3-methoxy-3-methylpiperidin-1-yl)methanimine
CID 107395818
1-(3-Methoxy-3-methylpiperidin-1-yl)ethanimine
CID 107395819
1-(3-Methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-imine
CID 107395820
1-(3-Methoxy-3-methylpiperidin-1-yl)propan-1-imine
CID 107395821
1-(3-Methoxy-3-methylpiperidin-1-yl)butan-1-imine
CID 107395822
1-(3-Methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropan-1-imine
CID 107395823

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine?
The IUPAC name of 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine (CID 177326169) is 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine.
What is the SMILES notation for 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine?
The canonical SMILES for 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine is [H]/N=C(\C)N1CCCC(OC)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine?
The InChIKey is VJGPIRAMLBZTKN-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(13)14-5-3-4-8(6-14,15-2)9(10,11)12/h13H,3-6H2,1-2H3/b13-7+.
What are the key properties of 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine?
1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine has a molecular weight of 224.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-3-(trifluoromethyl)piperidin-1-yl]ethanimine is sourced from PubChem (CID 177326169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).