[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene

C17H19FN4 — CID 71258841

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H19FN4/c1-14-2-6-16(7-3-14)19-20-22-12-10-21(11-13-22)17-8-4-15(18)5-9-17/h2-9H,10-13H2,1H3/b20-19+
InChIKeyBPZHGFVSLXNOTD-FMQUCBEESA-N
MW298.37 g/mol
LogP3.96
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene

[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene (PubChem CID 71258841) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene
PubChem CID71258841
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene
SMILESCc1ccc(/N=N/N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C17H19FN4/c1-14-2-6-16(7-3-14)19-20-22-12-10-21(11-13-22)17-8-4-15(18)5-9-17/h2-9H,10-13H2,1H3/b20-19+
InChIKeyBPZHGFVSLXNOTD-FMQUCBEESA-N
XLogP3.96
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)-[4-(4-methylphenyl)piperazin-1-yl]diazene
CID 123256247
ethane;(4-methylphenyl)-[4-(morpholin-4-yldiazenyl)phenyl]diazene
CID 157260661
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
bis(4-piperazin-1-ylphenyl)diazene
CID 25170712
[2-methyl-4-[(4-methylphenyl)diazenyl]piperazin-1-yl]-(4-methylphenyl)diazene
CID 102083511
(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene
CID 71259441
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
1-(4-fluorophenyl)-4-sulfanylpiperazine
CID 123797629
1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-(4-fluorophenyl)piperazine
CID 110181954
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 1121259
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene (CID 71258841) is [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene is Cc1ccc(/N=N/N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene?
The InChIKey is BPZHGFVSLXNOTD-FMQUCBEESA-N. The full InChI is InChI=1S/C17H19FN4/c1-14-2-6-16(7-3-14)19-20-22-12-10-21(11-13-22)17-8-4-15(18)5-9-17/h2-9H,10-13H2,1H3/b20-19+.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene?
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene has a molecular weight of 298.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)diazene is sourced from PubChem (CID 71258841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).