2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol

C15H20BrFN2O — CID 171300630

IUPAC2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@H](c1cc(F)cc(Br)c1O)N1CCNCC1
InChIInChI=1S/C15H20BrFN2O/c1-2-3-4-14(19-7-5-18-6-8-19)12-9-11(17)10-13(16)15(12)20/h2,9-10,14,18,20H,1,3-8H2/t14-/m1/s1
InChIKeyRSEVHMNSJPQCQF-CQSZACIVSA-N
MW343.24 g/mol
LogP3.21
Rot. Bonds5

About 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol

2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol (PubChem CID 171300630) has the molecular formula C15H20BrFN2O and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
PubChem CID171300630
Molecular FormulaC15H20BrFN2O
Molecular Weight343.24 g/mol
Exact Mass342.07
IUPAC Name2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
SMILESC=CCC[C@H](c1cc(F)cc(Br)c1O)N1CCNCC1
InChIInChI=1S/C15H20BrFN2O/c1-2-3-4-14(19-7-5-18-6-8-19)12-9-11(17)10-13(16)15(12)20/h2,9-10,14,18,20H,1,3-8H2/t14-/m1/s1
InChIKeyRSEVHMNSJPQCQF-CQSZACIVSA-N
XLogP3.21
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.21
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-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]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-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171284800
2-amino-4-fluoro-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171298391
2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylbutyl]phenol
CID 171300622
2-bromo-4-methoxy-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171301231
1-[(1S)-1-(2-bromo-4-fluorophenyl)pent-4-enyl]piperazine
CID 171274875
2-bromo-4-fluoro-6-[(1S)-3-methyl-1-piperazin-1-ylbut-3-enyl]phenol
CID 171298153
4-bromo-2-methyl-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171300750
2-fluoro-4-methyl-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol
CID 171298231
2-bromo-3-fluoro-6-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171298112
1-[(1S)-1-(2,5-difluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171277062
4-bromo-2-[(1S)-1-piperazin-1-ylpent-4-enyl]phenol;dihydrochloride
CID 171272892
2-bromo-4-fluoro-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171298115

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
The IUPAC name of 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol (CID 171300630) is 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
The canonical SMILES for 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol is C=CCC[C@H](c1cc(F)cc(Br)c1O)N1CCNCC1.
What is the InChIKey of 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
The InChIKey is RSEVHMNSJPQCQF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20BrFN2O/c1-2-3-4-14(19-7-5-18-6-8-19)12-9-11(17)10-13(16)15(12)20/h2,9-10,14,18,20H,1,3-8H2/t14-/m1/s1.
What are the key properties of 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol?
2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol has a molecular weight of 343.24 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-[(1R)-1-piperazin-1-ylpent-4-enyl]phenol is sourced from PubChem (CID 171300630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).