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

C19H28FN3O — CID 123154217

IUPAC1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine
SMILESC=C(ON=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
InChIKeyZLXMEXFLPDWYRL-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.70
Rot. Bonds7

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

1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine (PubChem CID 123154217) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine
PubChem CID123154217
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine
SMILESC=C(ON=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
InChIKeyZLXMEXFLPDWYRL-UHFFFAOYSA-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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Related Compounds

(Z)-1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
CID 11325277
(E,E)-1-(4-fluorophenyl)-6-methyl-N-(3-piperidin-1-ylpropoxy)hept-1-en-3-imine
CID 18993327
(NZ)-N-[(4-fluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 20521479
(NZ)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 21306888
(NE)-N-[(1-ethylpiperidin-4-yl)-[2-fluoro-4-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 60070350
4-(4-Fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)butyl]pyrimidin-2-one
CID 67375116
1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
CID 72802018
1-(2,4-difluorophenyl)-N-hydroxy-1-(1-methylpiperidin-4-yl)methanimine
CID 73768878
(4-Fluorophenyl)(1-methyl-4-piperidinyl)methanone oxime
CID 86027923
N-[(2,4-difluorophenyl)-(1-prop-2-enylpiperidin-4-yl)methylidene]hydroxylamine
CID 86738604
1-Methyl-4-(2-fluorobenzoyl)piperidine oxime
CID 86739050
(NE)-N-[(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methylidene]hydroxylamine
CID 87765489

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
The IUPAC name of 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine (CID 123154217) is 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine is C=C(ON=C(C)c1cccc(F)c1)N1CCN(CCC(C)C)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
The InChIKey is ZLXMEXFLPDWYRL-UHFFFAOYSA-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.
What are the key properties of 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine?
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 1-(3-fluorophenyl)-N-[1-[4-(3-methylbutyl)piperazin-1-yl]ethenoxy]ethanimine is sourced from PubChem (CID 123154217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).