(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene

C18H21BrN4 — CID 71259441

IUPAC(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene
SMILESCc1ccc(CN2CCN(/N=N/c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H21BrN4/c1-15-2-4-16(5-3-15)14-22-10-12-23(13-11-22)21-20-18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3/b21-20+
InChIKeyUVYIHKKMPWPHLW-QZQOTICOSA-N
MW373.30 g/mol
LogP4.57
Rot. Bonds4

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

(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene (PubChem CID 71259441) has the molecular formula C18H21BrN4 and a molecular weight of 373.30 g/mol. Its IUPAC name is (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene.

Molecular Properties

Compound Name(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene
PubChem CID71259441
Molecular FormulaC18H21BrN4
Molecular Weight373.30 g/mol
Exact Mass372.09
IUPAC Name(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene
SMILESCc1ccc(CN2CCN(/N=N/c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C18H21BrN4/c1-15-2-4-16(5-3-15)14-22-10-12-23(13-11-22)21-20-18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3/b21-20+
InChIKeyUVYIHKKMPWPHLW-QZQOTICOSA-N
XLogP4.57
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 54.57
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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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene?
The IUPAC name of (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene (CID 71259441) is (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene.
What is the SMILES notation for (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene?
The canonical SMILES for (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene is Cc1ccc(CN2CCN(/N=N/c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene?
The InChIKey is UVYIHKKMPWPHLW-QZQOTICOSA-N. The full InChI is InChI=1S/C18H21BrN4/c1-15-2-4-16(5-3-15)14-22-10-12-23(13-11-22)21-20-18-8-6-17(19)7-9-18/h2-9H,10-14H2,1H3/b21-20+.
What are the key properties of (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene?
(4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene has a molecular weight of 373.30 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]diazene is sourced from PubChem (CID 71259441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).