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

C14H17F3N2O — CID 71653711

IUPAC(E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESCN1CCCC(O/N=C/c2cccc(C(F)(F)F)c2)C1
InChIInChI=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+
InChIKeyLXOHSHNIWNUDBG-GIJQJNRQSA-N
MW286.30 g/mol
LogP3.15
Rot. Bonds3

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 CID71653711
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(E)-N-(1-methylpiperidin-3-yl)oxy-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESCN1CCCC(O/N=C/c2cccc(C(F)(F)F)c2)C1
InChIInChI=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+
InChIKeyLXOHSHNIWNUDBG-GIJQJNRQSA-N
XLogP3.15
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
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 (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).