N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine

C13H15F3N2O — CID 86636698

IUPACN-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
SMILESFC(F)(F)c1cccc(CON=C2CCNCC2)c1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-3-1-2-10(8-11)9-19-18-12-4-6-17-7-5-12/h1-3,8,17H,4-7,9H2
InChIKeyDVGFGFRKSSIGGF-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.96
Rot. Bonds3

About N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine

N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine (PubChem CID 86636698) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
PubChem CID86636698
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine
SMILESFC(F)(F)c1cccc(CON=C2CCNCC2)c1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)11-3-1-2-10(8-11)9-19-18-12-4-6-17-7-5-12/h1-3,8,17H,4-7,9H2
InChIKeyDVGFGFRKSSIGGF-UHFFFAOYSA-N
XLogP2.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine (CID 86636698) is N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine is FC(F)(F)c1cccc(CON=C2CCNCC2)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
The InChIKey is DVGFGFRKSSIGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)11-3-1-2-10(8-11)9-19-18-12-4-6-17-7-5-12/h1-3,8,17H,4-7,9H2.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine?
N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine has a molecular weight of 272.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-4-imine is sourced from PubChem (CID 86636698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).