5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine

C20H25FN4 — CID 176548256

IUPAC5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine
SMILES[H]/N=C(\C=C(C)N)C(=C)N1CCN(CC(=C=C)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN4/c1-4-17(18-5-7-19(21)8-6-18)14-24-9-11-25(12-10-24)16(3)20(23)13-15(2)22/h5-8,13,23H,1,3,9-12,14,22H2,2H3/b15-13?,23-20+
InChIKeyIVXLBIKFKPTPPK-NLAXZDMWSA-N
MW340.45 g/mol
LogP3.01
Rot. Bonds6

About 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine

5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine (PubChem CID 176548256) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine.

Molecular Properties

Compound Name5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine
PubChem CID176548256
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine
SMILES[H]/N=C(\C=C(C)N)C(=C)N1CCN(CC(=C=C)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN4/c1-4-17(18-5-7-19(21)8-6-18)14-24-9-11-25(12-10-24)16(3)20(23)13-15(2)22/h5-8,13,23H,1,3,9-12,14,22H2,2H3/b15-13?,23-20+
InChIKeyIVXLBIKFKPTPPK-NLAXZDMWSA-N
XLogP3.01
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine?
The IUPAC name of 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine (CID 176548256) is 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine.
What is the SMILES notation for 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine?
The canonical SMILES for 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine is [H]/N=C(\C=C(C)N)C(=C)N1CCN(CC(=C=C)c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine?
The InChIKey is IVXLBIKFKPTPPK-NLAXZDMWSA-N. The full InChI is InChI=1S/C20H25FN4/c1-4-17(18-5-7-19(21)8-6-18)14-24-9-11-25(12-10-24)16(3)20(23)13-15(2)22/h5-8,13,23H,1,3,9-12,14,22H2,2H3/b15-13?,23-20+.
What are the key properties of 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine?
5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine has a molecular weight of 340.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-fluorophenyl)buta-2,3-dienyl]piperazin-1-yl]-4-iminohexa-2,5-dien-2-amine is sourced from PubChem (CID 176548256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).