2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol

C13H18Br2N2O — CID 1378307

IUPAC2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
SMILESCCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1
InChIInChI=1S/C13H18Br2N2O/c1-2-16-3-5-17(6-4-16)9-10-7-11(14)8-12(15)13(10)18/h7-8,18H,2-6,9H2,1H3
InChIKeyWZCBGCQORJMSOR-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.05
Rot. Bonds3

About 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol

2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol (PubChem CID 1378307) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
PubChem CID1378307
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol
SMILESCCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1
InChIInChI=1S/C13H18Br2N2O/c1-2-16-3-5-17(6-4-16)9-10-7-11(14)8-12(15)13(10)18/h7-8,18H,2-6,9H2,1H3
InChIKeyWZCBGCQORJMSOR-UHFFFAOYSA-N
XLogP3.05
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol 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

2,4-Dibromo-6-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135498007
2,4-Dibromo-6-((cyclohexyl(3,5-dibromo-2-hydroxybenzyl)amino)methyl)phenol
CID 241474
4-Bromo-2-[(4-ethyl-1-piperazinyl)methyl]phenol
CID 782390
2,4-Dibromo-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 1377535
4-Bromo-2-({4-[(4-ethylphenyl)methyl]piperazin-1-YL}methyl)phenol
CID 1371695
2-{[(E)-4-Benzyl-piperazin-1-ylimino]-methyl}-4,6-dibromo-phenol
CID 135517127
2-[(4-Benzyl-1-piperazinyl)methyl]-4,6-dibromophenol
CID 1376462
Cambridge id 5429996
CID 1376500
2-(1-Azocanylmethyl)-4-bromophenol
CID 757597
4-Bromo-2-{[4-(3-fluorobenzyl)piperazin-1-yl]methyl}phenol
CID 1370534
2-[[4-(5-Bicyclo[2.2.1]hept-2-enylmethyl)piperazin-1-yl]methyl]-4-bromophenol
CID 2887025
4-Bromo-2-[(4-ethylpiperazin-1-yl)methyl]phenol;bis(2,2,2-trifluoroacetic acid)
CID 46840062

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol (CID 1378307) is 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol is CCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1.
What is the InChIKey of 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol?
The InChIKey is WZCBGCQORJMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c1-2-16-3-5-17(6-4-16)9-10-7-11(14)8-12(15)13(10)18/h7-8,18H,2-6,9H2,1H3.
What are the key properties of 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol?
2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol has a molecular weight of 378.11 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(4-ethylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 1378307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).