5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine

C18H24FN5 — CID 173495770

IUPAC5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine
SMILESC=C(C(C(=NN)C1CCNCC1)=C(N)C=CN)c1ccc(F)cc1
InChIInChI=1S/C18H24FN5/c1-12(13-2-4-15(19)5-3-13)17(16(21)6-9-20)18(24-22)14-7-10-23-11-8-14/h2-6,9,14,23H,1,7-8,10-11,20-22H2
InChIKeyORVSANICJPTKLD-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.84
Rot. Bonds5

About 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine

5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine (PubChem CID 173495770) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine
PubChem CID173495770
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine
SMILESC=C(C(C(=NN)C1CCNCC1)=C(N)C=CN)c1ccc(F)cc1
InChIInChI=1S/C18H24FN5/c1-12(13-2-4-15(19)5-3-13)17(16(21)6-9-20)18(24-22)14-7-10-23-11-8-14/h2-6,9,14,23H,1,7-8,10-11,20-22H2
InChIKeyORVSANICJPTKLD-UHFFFAOYSA-N
XLogP1.84
TPSA102.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_enamin(30)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine?
The IUPAC name of 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine (CID 173495770) is 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine?
The canonical SMILES for 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine is C=C(C(C(=NN)C1CCNCC1)=C(N)C=CN)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine?
The InChIKey is ORVSANICJPTKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-12(13-2-4-15(19)5-3-13)17(16(21)6-9-20)18(24-22)14-7-10-23-11-8-14/h2-6,9,14,23H,1,7-8,10-11,20-22H2.
What are the key properties of 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine?
5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine has a molecular weight of 329.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-(C-piperidin-4-ylcarbonohydrazonoyl)hexa-1,3,5-triene-1,3-diamine is sourced from PubChem (CID 173495770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).