2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride

C15H22Br2Cl2N2O — CID 171284800

IUPAC2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
SMILESC=CCC[C@H](c1cc(Br)cc(Br)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20Br2N2O.2ClH/c1-2-3-4-14(19-7-5-18-6-8-19)12-9-11(16)10-13(17)15(12)20;;/h2,9-10,14,18,20H,1,3-8H2;2*1H/t14-;;/m1../s1
InChIKeyISMGPZCAFKINBJ-FMOMHUKBSA-N
MW477.07 g/mol
LogP4.67
Rot. Bonds5

About 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride

2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride (PubChem CID 171284800) has the molecular formula C15H22Br2Cl2N2O and a molecular weight of 477.07 g/mol. Its IUPAC name is 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
PubChem CID171284800
Molecular FormulaC15H22Br2Cl2N2O
Molecular Weight477.07 g/mol
Exact Mass473.95
IUPAC Name2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
SMILESC=CCC[C@H](c1cc(Br)cc(Br)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H20Br2N2O.2ClH/c1-2-3-4-14(19-7-5-18-6-8-19)12-9-11(16)10-13(17)15(12)20;;/h2,9-10,14,18,20H,1,3-8H2;2*1H/t14-;;/m1../s1
InChIKeyISMGPZCAFKINBJ-FMOMHUKBSA-N
XLogP4.67
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.07
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride 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-bromo-4-methoxy-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171301231
2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171300630
4-bromo-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171300750
2,4-dibromo-6-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171272164
4-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171272892
1-[(1R)-1-(2,5-dibromophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171296249
2,4-dibromo-6-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171167989
2,4-dibromo-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171272167
6-amino-3-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171297552
3-bromo-6-chloro-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171297712
2-bromo-3-fluoro-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171298112
4-bromo-2-hydroxy-3-[(1S)-1-piperazin-1-ylpent-4-enyl]benzonitrile
CID 171298950

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride?
The IUPAC name of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride (CID 171284800) is 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride.
What is the SMILES notation for 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride?
The canonical SMILES for 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride is C=CCC[C@H](c1cc(Br)cc(Br)c1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride?
The InChIKey is ISMGPZCAFKINBJ-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H20Br2N2O.2ClH/c1-2-3-4-14(19-7-5-18-6-8-19)12-9-11(16)10-13(17)15(12)20;;/h2,9-10,14,18,20H,1,3-8H2;2*1H/t14-;;/m1../s1.
What are the key properties of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride?
2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride has a molecular weight of 477.07 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride is sourced from PubChem (CID 171284800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).