(E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine

C19H28FN3O — CID 144923107

IUPAC(E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine
SMILESC=C(O/N=C(\C)c1cccc(F)c1)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C19H28FN3O/c1-15(2)8-9-22-10-12-23(13-11-22)17(4)24-21-16(3)18-6-5-7-19(20)14-18/h5-7,14-15H,4,8-13H2,1-3H3/b21-16+
InChIKeyZLXMEXFLPDWYRL-LTGZKZEYSA-N
MW333.45 g/mol
LogP3.70
Rot. Bonds7

About (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine

(E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine (PubChem CID 144923107) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine
PubChem CID144923107
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name(E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine
SMILESC=C(O/N=C(\C)c1cccc(F)c1)N1CCN(CCC(C)C)CC1
InChIInChI=1S/C19H28FN3O/c1-15(2)8-9-22-10-12-23(13-11-22)17(4)24-21-16(3)18-6-5-7-19(20)14-18/h5-7,14-15H,4,8-13H2,1-3H3/b21-16+
InChIKeyZLXMEXFLPDWYRL-LTGZKZEYSA-N
XLogP3.70
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
The IUPAC name of (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine (CID 144923107) is (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine.
What is the SMILES notation for (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
The canonical SMILES for (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine is C=C(O/N=C(\C)c1cccc(F)c1)N1CCN(CCC(C)C)CC1.
What is the InChIKey of (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
The InChIKey is ZLXMEXFLPDWYRL-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-15(2)8-9-22-10-12-23(13-11-22)17(4)24-21-16(3)18-6-5-7-19(20)14-18/h5-7,14-15H,4,8-13H2,1-3H3/b21-16+.
What are the key properties of (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
(E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine has a molecular weight of 333.45 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine is sourced from PubChem (CID 144923107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).