2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide

C14H21BrN4O — CID 114883077

IUPAC2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILESCCCN1CCN(c2cccc(Br)c2/C(N)=N/O)CC1
InChIInChI=1S/C14H21BrN4O/c1-2-6-18-7-9-19(10-8-18)12-5-3-4-11(15)13(12)14(16)17-20/h3-5,20H,2,6-10H2,1H3,(H2,16,17)
InChIKeyCACGVDDYNPVJMH-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.08
Rot. Bonds4

About 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide

2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 114883077) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
PubChem CID114883077
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILESCCCN1CCN(c2cccc(Br)c2/C(N)=N/O)CC1
InChIInChI=1S/C14H21BrN4O/c1-2-6-18-7-9-19(10-8-18)12-5-3-4-11(15)13(12)14(16)17-20/h3-5,20H,2,6-10H2,1H3,(H2,16,17)
InChIKeyCACGVDDYNPVJMH-UHFFFAOYSA-N
XLogP2.08
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 114883165
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964
2-bromo-N'-hydroxy-6-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 114883288
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76945319
2-bromo-N'-hydroxy-6-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 114883297
2-bromo-N'-hydroxy-6-(4-hydroxy-4-methylazepan-1-yl)benzenecarboximidamide
CID 107404768
2-bromo-N'-hydroxy-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587055
2-bromo-6-(2,2-dimethylthiomorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 114883354
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883329
N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 107929738
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940
2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide (CID 114883077) is 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide is CCCN1CCN(c2cccc(Br)c2/C(N)=N/O)CC1.
What is the InChIKey of 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is CACGVDDYNPVJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-2-6-18-7-9-19(10-8-18)12-5-3-4-11(15)13(12)14(16)17-20/h3-5,20H,2,6-10H2,1H3,(H2,16,17).
What are the key properties of 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide?
2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 341.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114883077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).