[2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene

C21H26FN5O2 — CID 101069125

IUPAC[2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
SMILESCCCCCN1CCN(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(F)c2)CC1
InChIInChI=1S/C21H26FN5O2/c1-2-3-4-11-25-12-14-26(15-13-25)19-9-10-21(20(22)16-19)24-23-17-5-7-18(8-6-17)27(28)29/h5-10,16H,2-4,11-15H2,1H3/b24-23+
InChIKeyGUIWVEOCYBFCGB-WCWDXBQESA-N
MW399.47 g/mol
LogP5.46
Rot. Bonds8

About [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene

[2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene (PubChem CID 101069125) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name[2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
PubChem CID101069125
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name[2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
SMILESCCCCCN1CCN(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(F)c2)CC1
InChIInChI=1S/C21H26FN5O2/c1-2-3-4-11-25-12-14-26(15-13-25)19-9-10-21(20(22)16-19)24-23-17-5-7-18(8-6-17)27(28)29/h5-10,16H,2-4,11-15H2,1H3/b24-23+
InChIKeyGUIWVEOCYBFCGB-WCWDXBQESA-N
XLogP5.46
TPSA74.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene with MolForge

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

Launch Full Analysis

Related Compounds

[2,6-difluoro-4-(4-hexylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 101069122
[2,3-difluoro-4-(4-heptylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 101069119
[3-methyl-4-(4-octylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 101069106
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 28913887
2-methylidene-14-[4-(4-nitrophenyl)piperazin-1-yl]tetradecanoic acid
CID 23171931
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
N,N-diethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 141409024
4-[[4-[3-(4-methylpiperazin-1-yl)propyl]-2-nitrophenyl]diazenyl]-N,N-dioctylaniline
CID 165365332
1-[4-(4-nitrophenyl)piperazin-1-yl]undecan-1-one
CID 4640074
5-ethyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)pyrazol-3-one;hydrochloride
CID 24844350
1-ethyl-4-(3-fluoro-4-isocyanatophenyl)piperazine
CID 169355749
1-(3-methylsulfonyl-4-nitrophenyl)-4-propyl-1,4-diazepane
CID 133401780

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene?
The IUPAC name of [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene (CID 101069125) is [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene.
What is the SMILES notation for [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene?
The canonical SMILES for [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene is CCCCCN1CCN(c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)c(F)c2)CC1.
What is the InChIKey of [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene?
The InChIKey is GUIWVEOCYBFCGB-WCWDXBQESA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-2-3-4-11-25-12-14-26(15-13-25)19-9-10-21(20(22)16-19)24-23-17-5-7-18(8-6-17)27(28)29/h5-10,16H,2-4,11-15H2,1H3/b24-23+.
What are the key properties of [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene?
[2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene has a molecular weight of 399.47 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-pentylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene is sourced from PubChem (CID 101069125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).