2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride

C15H25Br2Cl2N3 — CID 171307375

IUPAC2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
SMILESCCCC[C@H](c1cc(Br)cc(Br)c1N)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23Br2N3.2ClH/c1-2-3-4-14(20-7-5-19-6-8-20)12-9-11(16)10-13(17)15(12)18;;/h9-10,14,19H,2-8,18H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyUCQBLFVFZPFIID-FMOMHUKBSA-N
MW478.10 g/mol
LogP4.77
Rot. Bonds5

About 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride

2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride (PubChem CID 171307375) has the molecular formula C15H25Br2Cl2N3 and a molecular weight of 478.10 g/mol. Its IUPAC name is 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride.

Molecular Properties

Compound Name2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
PubChem CID171307375
Molecular FormulaC15H25Br2Cl2N3
Molecular Weight478.10 g/mol
Exact Mass474.98
IUPAC Name2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride
SMILESCCCC[C@H](c1cc(Br)cc(Br)c1N)N1CCNCC1.Cl.Cl
InChIInChI=1S/C15H23Br2N3.2ClH/c1-2-3-4-14(20-7-5-19-6-8-20)12-9-11(16)10-13(17)15(12)18;;/h9-10,14,19H,2-8,18H2,1H3;2*1H/t14-;;/m1../s1
InChIKeyUCQBLFVFZPFIID-FMOMHUKBSA-N
XLogP4.77
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.10
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(1S)-4-methyl-1-piperazin-1-ylpentyl]aniline;dihydrochloride
CID 171309906
2,4-dibromo-6-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]aniline;dihydrochloride
CID 171302387
1-[(1R)-1-(2,5-dibromophenyl)pentyl]piperazine
CID 171308409
2,4-dibromo-6-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]aniline;dihydrochloride
CID 171303349
1-[(1S)-1-(3,5-dibromophenyl)pentyl]piperazine
CID 171309615
2,4-dibromo-6-[(1S)-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171272164
1-[(1S)-1-(5-bromo-2-chlorophenyl)pentyl]piperazine
CID 171309037
1-[(1S)-1-(2-bromo-4-methylphenyl)pentyl]piperazine
CID 171308887
1-[(1S)-1-(5-bromo-2-chlorophenyl)hexyl]piperazine;dihydrochloride
CID 171309040
1-[(1S)-1-(2-bromo-5-fluorophenyl)pentyl]piperazine
CID 171163752
1-[(1S)-1-(3-bromo-5-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171309031
1-[(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309239

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride?
The IUPAC name of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride (CID 171307375) is 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride.
What is the SMILES notation for 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride?
The canonical SMILES for 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride is CCCC[C@H](c1cc(Br)cc(Br)c1N)N1CCNCC1.Cl.Cl.
What is the InChIKey of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride?
The InChIKey is UCQBLFVFZPFIID-FMOMHUKBSA-N. The full InChI is InChI=1S/C15H23Br2N3.2ClH/c1-2-3-4-14(20-7-5-19-6-8-20)12-9-11(16)10-13(17)15(12)18;;/h9-10,14,19H,2-8,18H2,1H3;2*1H/t14-;;/m1../s1.
What are the key properties of 2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride?
2,4-dibromo-6-[(1R)-1-piperazin-1-ylpentyl]aniline;dihydrochloride has a molecular weight of 478.10 g/mol, XLogP of 4.77, 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-ylpentyl]aniline;dihydrochloride is sourced from PubChem (CID 171307375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).