1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide

C13H15BrClN3O2 — CID 107992513

IUPAC1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C13H15BrClN3O2/c14-11-7-9(15)1-2-10(11)13(19)18-5-3-8(4-6-18)12(16)17-20/h1-2,7-8,20H,3-6H2,(H2,16,17)
InChIKeyVEMYSIGQEZKNRU-UHFFFAOYSA-N
MW360.64 g/mol
LogP2.70
Rot. Bonds2

About 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide

1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 107992513) has the molecular formula C13H15BrClN3O2 and a molecular weight of 360.64 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID107992513
Molecular FormulaC13H15BrClN3O2
Molecular Weight360.64 g/mol
Exact Mass359.00
IUPAC Name1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C13H15BrClN3O2/c14-11-7-9(15)1-2-10(11)13(19)18-5-3-8(4-6-18)12(16)17-20/h1-2,7-8,20H,3-6H2,(H2,16,17)
InChIKeyVEMYSIGQEZKNRU-UHFFFAOYSA-N
XLogP2.70
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 52.70
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-(2,4-dibromobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107940588
2-[4-(2-bromo-4-chlorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107992491
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 103807096
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119592450
1-(2,5-dibromothiophene-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107965214
(2-bromo-4-chlorophenyl)-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 107994318
1-(2-fluoro-5-methylbenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038997
1-(2-bromo-5-methoxybenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038523
(3-aminoazetidin-1-yl)-(2-bromo-4-chlorophenyl)methanone
CID 107990480
3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide (CID 107992513) is 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide is N/C(=N/O)C1CCN(C(=O)c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is VEMYSIGQEZKNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O2/c14-11-7-9(15)1-2-10(11)13(19)18-5-3-8(4-6-18)12(16)17-20/h1-2,7-8,20H,3-6H2,(H2,16,17).
What are the key properties of 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 360.64 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 107992513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).