5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide

C13H18BrN3O — CID 114892354

IUPAC5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CCCN(c2ccc(Br)cc2/C(N)=N/O)C1
InChIInChI=1S/C13H18BrN3O/c1-9-3-2-6-17(8-9)12-5-4-10(14)7-11(12)13(15)16-18/h4-5,7,9,18H,2-3,6,8H2,1H3,(H2,15,16)
InChIKeyIZLVVKBBCYZNKD-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.78
Rot. Bonds2

About 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide

5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 114892354) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
PubChem CID114892354
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CCCN(c2ccc(Br)cc2/C(N)=N/O)C1
InChIInChI=1S/C13H18BrN3O/c1-9-3-2-6-17(8-9)12-5-4-10(14)7-11(12)13(15)16-18/h4-5,7,9,18H,2-3,6,8H2,1H3,(H2,15,16)
InChIKeyIZLVVKBBCYZNKD-UHFFFAOYSA-N
XLogP2.78
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.78
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanone
CID 82966788
5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 114892399
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938
5-fluoro-N'-hydroxy-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77004346
4-bromo-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114903868
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-bromo-N'-hydroxybenzenecarboximidamide
CID 114903916
N'-hydroxy-2-(3-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24698019
5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77109614
5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 55078907
5-bromo-N'-hydroxy-2-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 114892403
5-chloro-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944937
4-bromo-N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 114904112

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide (CID 114892354) is 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide is CC1CCCN(c2ccc(Br)cc2/C(N)=N/O)C1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is IZLVVKBBCYZNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-9-3-2-6-17(8-9)12-5-4-10(14)7-11(12)13(15)16-18/h4-5,7,9,18H,2-3,6,8H2,1H3,(H2,15,16).
What are the key properties of 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide?
5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 312.21 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114892354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).