(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine

C14H19FN2O — CID 141042076

IUPAC(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
SMILESCO/N=C(/CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-18-16-14(11-17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3/b16-14-
InChIKeyJASGRNPHSWRDBD-PEZBUJJGSA-N
MW250.32 g/mol
LogP2.66
Rot. Bonds4

About (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine

(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine (PubChem CID 141042076) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
PubChem CID141042076
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
SMILESCO/N=C(/CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c1-18-16-14(11-17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3/b16-14-
InChIKeyJASGRNPHSWRDBD-PEZBUJJGSA-N
XLogP2.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.66
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)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine (CID 141042076) is (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine is CO/N=C(/CN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
The InChIKey is JASGRNPHSWRDBD-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-18-16-14(11-17-9-3-2-4-10-17)12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3/b16-14-.
What are the key properties of (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine?
(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine has a molecular weight of 250.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine is sourced from PubChem (CID 141042076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).