2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide

C14H21BrN4O — CID 114883244

IUPAC2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
SMILESCN1CCCC(N(C)c2cccc(Br)c2/C(N)=N/O)C1
InChIInChI=1S/C14H21BrN4O/c1-18-8-4-5-10(9-18)19(2)12-7-3-6-11(15)13(12)14(16)17-20/h3,6-7,10,20H,4-5,8-9H2,1-2H3,(H2,16,17)
InChIKeyBTBXAIJZGRFPNM-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.07
Rot. Bonds3

About 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide

2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide (PubChem CID 114883244) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
PubChem CID114883244
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
SMILESCN1CCCC(N(C)c2cccc(Br)c2/C(N)=N/O)C1
InChIInChI=1S/C14H21BrN4O/c1-18-8-4-5-10(9-18)19(2)12-7-3-6-11(15)13(12)14(16)17-20/h3,6-7,10,20H,4-5,8-9H2,1-2H3,(H2,16,17)
InChIKeyBTBXAIJZGRFPNM-UHFFFAOYSA-N
XLogP2.07
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.07
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-[cyclobutylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883247
2-bromo-6-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114883124
2-fluoro-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 79519842
2-bromo-N'-hydroxy-6-[methyl-(2-methylcyclohexyl)amino]benzenecarboximidamide
CID 114883200
2-chloro-N'-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 76945394
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 82799753
2-bromo-6-[cyclopentyl(methyl)amino]benzenecarbothioamide
CID 114881958
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 82804752
2-bromo-6-[cyclopropylmethyl(propan-2-yl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883197
2-bromo-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 114883248
3,5-difluoro-N'-hydroxy-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide
CID 81286510
2-[methyl-(1-methylpiperidin-3-yl)amino]benzaldehyde
CID 55084333

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide (CID 114883244) is 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide is CN1CCCC(N(C)c2cccc(Br)c2/C(N)=N/O)C1.
What is the InChIKey of 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
The InChIKey is BTBXAIJZGRFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-18-8-4-5-10(9-18)19(2)12-7-3-6-11(15)13(12)14(16)17-20/h3,6-7,10,20H,4-5,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide?
2-bromo-N'-hydroxy-6-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide has a molecular weight of 341.25 g/mol, XLogP of 2.07, 3 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-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 114883244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).