1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine

C9H14F3N3O — CID 168893875

IUPAC1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine
SMILES[H]/N=C(\C)N1CC(C(F)(F)F)C(OC)C/C1=N\[H]
InChIInChI=1S/C9H14F3N3O/c1-5(13)15-4-6(9(10,11)12)7(16-2)3-8(15)14/h6-7,13-14H,3-4H2,1-2H3/b13-5+,14-8+
InChIKeySQUQMPGIXLWBAA-MXENDMJBSA-N
MW237.22 g/mol
LogP1.86
Rot. Bonds1

About 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine

1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine (PubChem CID 168893875) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine.

Molecular Properties

Compound Name1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine
PubChem CID168893875
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine
SMILES[H]/N=C(\C)N1CC(C(F)(F)F)C(OC)C/C1=N\[H]
InChIInChI=1S/C9H14F3N3O/c1-5(13)15-4-6(9(10,11)12)7(16-2)3-8(15)14/h6-7,13-14H,3-4H2,1-2H3/b13-5+,14-8+
InChIKeySQUQMPGIXLWBAA-MXENDMJBSA-N
XLogP1.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(Cyclohexanecarboximidoyl)-4-methoxy-5-(trifluoromethyl)piperidin-2-imine
CID 169842007
[2-Imino-4-(2,2,2-trifluoroethoxy)piperidin-1-yl]methanamine
CID 169842013
1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidine-3-carboximidamide
CID 64443871
2-[(4-Ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370605
3,3,3-Trifluoro-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113808118
1-(4-Methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 63175528
Cyclopentyl-(4-methoxypiperidin-1-yl)methanimine
CID 63175586
1-(4-Ethoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 63176607

Frequently Asked Questions

What is the IUPAC name of 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine?
The IUPAC name of 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine (CID 168893875) is 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine.
What is the SMILES notation for 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine?
The canonical SMILES for 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine is [H]/N=C(\C)N1CC(C(F)(F)F)C(OC)C/C1=N\[H].
What is the InChIKey of 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine?
The InChIKey is SQUQMPGIXLWBAA-MXENDMJBSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-5(13)15-4-6(9(10,11)12)7(16-2)3-8(15)14/h6-7,13-14H,3-4H2,1-2H3/b13-5+,14-8+.
What are the key properties of 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine?
1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine has a molecular weight of 237.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethanimidoyl-4-methoxy-5-(trifluoromethyl)piperidin-2-imine is sourced from PubChem (CID 168893875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).