5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide

C13H18BrN3O2 — CID 114892765

IUPAC5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
SMILESCN1CCC(Oc2ccc(Br)cc2/C(N)=N/O)CC1
InChIInChI=1S/C13H18BrN3O2/c1-17-6-4-10(5-7-17)19-12-3-2-9(14)8-11(12)13(15)16-18/h2-3,8,10,18H,4-7H2,1H3,(H2,15,16)
InChIKeyCEPTYMFENXRTCO-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.02
Rot. Bonds3

About 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide

5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide (PubChem CID 114892765) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
PubChem CID114892765
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
SMILESCN1CCC(Oc2ccc(Br)cc2/C(N)=N/O)CC1
InChIInChI=1S/C13H18BrN3O2/c1-17-6-4-10(5-7-17)19-12-3-2-9(14)8-11(12)13(15)16-18/h2-3,8,10,18H,4-7H2,1H3,(H2,15,16)
InChIKeyCEPTYMFENXRTCO-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
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-3-fluoro-N'-hydroxy-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 107536190
5-bromo-2-(1-methylpyrrolidin-3-yl)oxybenzenecarbothioamide
CID 112741320
4-bromo-2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 114907573
4-bromo-N'-hydroxy-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114904230
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxybenzenecarboximidamide
CID 112741333
5-bromo-N'-hydroxy-2-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 114892399
2-cycloheptyloxy-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55233502
5-bromo-2-(4,4-dimethylcyclohexyl)oxybenzenecarbothioamide
CID 114892302
5-bromo-2-(cyclopropylmethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 106929693
1-(5-bromo-2-cyclopentyloxyphenyl)ethanone;N-[1-(5-bromo-2-cyclopentyloxyphenyl)ethylidene]hydroxylamine
CID 160524221
5-bromo-N'-hydroxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 114892715
3-bromo-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 82799029

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The IUPAC name of 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide (CID 114892765) is 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide is CN1CCC(Oc2ccc(Br)cc2/C(N)=N/O)CC1.
What is the InChIKey of 5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
The InChIKey is CEPTYMFENXRTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-17-6-4-10(5-7-17)19-12-3-2-9(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-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide?
5-bromo-N'-hydroxy-2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide has a molecular weight of 328.21 g/mol, XLogP of 2.02, 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-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 114892765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).