2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide

C15H23BrN4 — CID 114883773

IUPAC2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1N1CCN(C(C)CC)CC1
InChIInChI=1S/C15H23BrN4/c1-3-11(2)19-7-9-20(10-8-19)13-6-4-5-12(16)14(13)15(17)18/h4-6,11H,3,7-10H2,1-2H3,(H3,17,18)
InChIKeyAYJCADYLHYNVQP-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.65
Rot. Bonds4

About 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide

2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 114883773) has the molecular formula C15H23BrN4 and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide
PubChem CID114883773
Molecular FormulaC15H23BrN4
Molecular Weight339.28 g/mol
Exact Mass338.11
IUPAC Name2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1N1CCN(C(C)CC)CC1
InChIInChI=1S/C15H23BrN4/c1-3-11(2)19-7-9-20(10-8-19)13-6-4-5-12(16)14(13)15(17)18/h4-6,11H,3,7-10H2,1-2H3,(H3,17,18)
InChIKeyAYJCADYLHYNVQP-UHFFFAOYSA-N
XLogP2.65
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)pyridazine-4-carboximidamide
CID 80513357
4-(4-butan-2-ylpiperazin-1-yl)-2-chlorobenzenecarboximidamide
CID 62947534
2-(4-butan-2-ylpiperazin-1-yl)-6-chlorobenzoic acid
CID 62773833
3-(4-butan-2-ylpiperazin-1-yl)-5,6-dimethylpyridazine-4-carboximidamide
CID 62773452
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
2-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
2-bromo-6-ethylsulfanylbenzenecarboximidamide
CID 114884380
[2-(4-butan-2-ylpiperazin-1-yl)-6-chlorophenyl]methanol
CID 62774618
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268
5-bromo-2-(4-butan-2-ylpiperazin-1-yl)benzenecarbothioamide
CID 114891714
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide (CID 114883773) is 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1N1CCN(C(C)CC)CC1.
What is the InChIKey of 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is AYJCADYLHYNVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4/c1-3-11(2)19-7-9-20(10-8-19)13-6-4-5-12(16)14(13)15(17)18/h4-6,11H,3,7-10H2,1-2H3,(H3,17,18).
What are the key properties of 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide?
2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 339.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(4-butan-2-ylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114883773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).