3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide

C14H21BrN4O — CID 82799389

IUPAC3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C1CCN(c2ccc(/C(N)=N/O)cc2Br)CC1
InChIInChI=1S/C14H21BrN4O/c1-18(2)11-5-7-19(8-6-11)13-4-3-10(9-12(13)15)14(16)17-20/h3-4,9,11,20H,5-8H2,1-2H3,(H2,16,17)
InChIKeyHVZXWIJUEJULER-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.07
Rot. Bonds3

About 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide

3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide (PubChem CID 82799389) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
PubChem CID82799389
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C1CCN(c2ccc(/C(N)=N/O)cc2Br)CC1
InChIInChI=1S/C14H21BrN4O/c1-18(2)11-5-7-19(8-6-11)13-4-3-10(9-12(13)15)14(16)17-20/h3-4,9,11,20H,5-8H2,1-2H3,(H2,16,17)
InChIKeyHVZXWIJUEJULER-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

3-bromo-4-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799919
3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-bromo-N'-hydroxybenzenecarboximidamide
CID 82787021
3-bromo-4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799275
3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799177
1-(2-bromo-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 139516178
3-bromo-N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)benzenecarboximidamide
CID 107404742
3-bromo-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 82801317
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-bromo-N'-hydroxybenzenecarboximidamide
CID 82799287
1-[3-bromo-4-[4-(dimethylamino)piperidin-1-yl]phenyl]ethanol
CID 55130530
3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
CID 82798646
1-(4-amino-2-bromo-5-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 114048172

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide (CID 82799389) is 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide is CN(C)C1CCN(c2ccc(/C(N)=N/O)cc2Br)CC1.
What is the InChIKey of 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is HVZXWIJUEJULER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-18(2)11-5-7-19(8-6-11)13-4-3-10(9-12(13)15)14(16)17-20/h3-4,9,11,20H,5-8H2,1-2H3,(H2,16,17).
What are the key properties of 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide?
3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide 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 3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82799389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).