2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol

C20H31FN4O — CID 146238290

IUPAC2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol
SMILESCN(/C(N)=C/C=C(\N)c1cccc(F)c1O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H31FN4O/c1-19(2)11-13(12-20(3,4)24-19)25(5)17(23)10-9-16(22)14-7-6-8-15(21)18(14)26/h6-10,13,24,26H,11-12,22-23H2,1-5H3/b16-9-,17-10+
InChIKeyIFSSEHCKMHEHEI-ZAGBYUSBSA-N
MW362.49 g/mol
LogP2.87
Rot. Bonds4

About 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol

2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol (PubChem CID 146238290) has the molecular formula C20H31FN4O and a molecular weight of 362.49 g/mol. Its IUPAC name is 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol.

Molecular Properties

Compound Name2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol
PubChem CID146238290
Molecular FormulaC20H31FN4O
Molecular Weight362.49 g/mol
Exact Mass362.25
IUPAC Name2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol
SMILESCN(/C(N)=C/C=C(\N)c1cccc(F)c1O)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C20H31FN4O/c1-19(2)11-13(12-20(3,4)24-19)25(5)17(23)10-9-16(22)14-7-6-8-15(21)18(14)26/h6-10,13,24,26H,11-12,22-23H2,1-5H3/b16-9-,17-10+
InChIKeyIFSSEHCKMHEHEI-ZAGBYUSBSA-N
XLogP2.87
TPSA87.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.49
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol 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 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol?
The IUPAC name of 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol (CID 146238290) is 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol.
What is the SMILES notation for 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol?
The canonical SMILES for 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol is CN(/C(N)=C/C=C(\N)c1cccc(F)c1O)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol?
The InChIKey is IFSSEHCKMHEHEI-ZAGBYUSBSA-N. The full InChI is InChI=1S/C20H31FN4O/c1-19(2)11-13(12-20(3,4)24-19)25(5)17(23)10-9-16(22)14-7-6-8-15(21)18(14)26/h6-10,13,24,26H,11-12,22-23H2,1-5H3/b16-9-,17-10+.
What are the key properties of 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol?
2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol has a molecular weight of 362.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-6-fluorophenol is sourced from PubChem (CID 146238290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).