1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine

C7H10F3N3 — CID 168894287

IUPAC1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine
SMILES[H]/N=C/N1CCC(C(F)(F)F)C/C1=N\[H]
InChIInChI=1S/C7H10F3N3/c8-7(9,10)5-1-2-13(4-11)6(12)3-5/h4-5,11-12H,1-3H2/b11-4+,12-6+
InChIKeyBAAHSACGTBMGLA-RYYWOMKVSA-N
MW193.17 g/mol
LogP1.85
Rot. Bonds1

About 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine

1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine (PubChem CID 168894287) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine.

Molecular Properties

Compound Name1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine
PubChem CID168894287
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine
SMILES[H]/N=C/N1CCC(C(F)(F)F)C/C1=N\[H]
InChIInChI=1S/C7H10F3N3/c8-7(9,10)5-1-2-13(4-11)6(12)3-5/h4-5,11-12H,1-3H2/b11-4+,12-6+
InChIKeyBAAHSACGTBMGLA-RYYWOMKVSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.85
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine?
The IUPAC name of 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine (CID 168894287) is 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine.
What is the SMILES notation for 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine?
The canonical SMILES for 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine is [H]/N=C/N1CCC(C(F)(F)F)C/C1=N\[H].
What is the InChIKey of 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine?
The InChIKey is BAAHSACGTBMGLA-RYYWOMKVSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)5-1-2-13(4-11)6(12)3-5/h4-5,11-12H,1-3H2/b11-4+,12-6+.
What are the key properties of 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine?
1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine has a molecular weight of 193.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-4-(trifluoromethyl)piperidin-2-imine is sourced from PubChem (CID 168894287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).