5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide

C13H18BrN3O2 — CID 114892399

IUPAC5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
SMILESCOC1CCN(c2ccc(Br)cc2/C(N)=N/O)CC1
InChIInChI=1S/C13H18BrN3O2/c1-19-10-4-6-17(7-5-10)12-3-2-9(14)8-11(12)13(15)16-18/h2-3,8,10,18H,4-7H2,1H3,(H2,15,16)
InChIKeyDJNUQMKIQXBNOU-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.16
Rot. Bonds3

About 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide

5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 114892399) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
PubChem CID114892399
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
SMILESCOC1CCN(c2ccc(Br)cc2/C(N)=N/O)CC1
InChIInChI=1S/C13H18BrN3O2/c1-19-10-4-6-17(7-5-10)12-3-2-9(14)8-11(12)13(15)16-18/h2-3,8,10,18H,4-7H2,1H3,(H2,15,16)
InChIKeyDJNUQMKIQXBNOU-UHFFFAOYSA-N
XLogP2.16
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.16
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

5-bromo-N'-hydroxy-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114892354
5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 114892765
5-bromo-2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N'-hydroxybenzenecarboximidamide
CID 107455345
2-(4-ethoxypiperidin-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004290
2-[4-bromo-2-(4-methoxypiperidin-1-yl)phenyl]ethanamine
CID 63782212
4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114903960
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
5-bromo-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarbothioamide
CID 114891992
5-bromo-N'-hydroxy-2-(3-methylmorpholin-4-yl)benzenecarboximidamide
CID 114892403
5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944687
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696609
5-bromo-2-(4-carbamoylpiperidin-1-yl)benzoic acid
CID 114061337

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide (CID 114892399) is 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide is COC1CCN(c2ccc(Br)cc2/C(N)=N/O)CC1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is DJNUQMKIQXBNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-19-10-4-6-17(7-5-10)12-3-2-9(14)8-11(12)13(15)16-18/h2-3,8,10,18H,4-7H2,1H3,(H2,15,16).
What are the key properties of 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide?
5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 328.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114892399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).