2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

C14H20BrN3O — CID 107278551

IUPAC2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCN1c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-2-10-5-3-4-8-18(10)11-6-7-12(13(15)9-11)14(16)17-19/h6-7,9-10,19H,2-5,8H2,1H3,(H2,16,17)
InChIKeyDCCRBZGPLOXLSK-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.31
Rot. Bonds3

About 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 107278551) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID107278551
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCN1c1ccc(/C(N)=N/O)c(Br)c1
InChIInChI=1S/C14H20BrN3O/c1-2-10-5-3-4-8-18(10)11-6-7-12(13(15)9-11)14(16)17-19/h6-7,9-10,19H,2-5,8H2,1H3,(H2,16,17)
InChIKeyDCCRBZGPLOXLSK-UHFFFAOYSA-N
XLogP3.31
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.31
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

2-bromo-N'-hydroxy-4-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 107278824
2-bromo-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 107278710
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042
2-bromo-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114883345
2-chloro-4-(2-ethylpiperidin-1-yl)benzenecarbothioamide
CID 62946953
2-bromo-N'-hydroxy-4-(4-propylazepan-1-yl)benzenecarboximidamide
CID 107278749
2-bromo-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 107278750
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
2-chloro-4-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690051
2-bromo-N'-hydroxy-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107278827
2-bromo-N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 107278802

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 107278551) is 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is CCC1CCCCN1c1ccc(/C(N)=N/O)c(Br)c1.
What is the InChIKey of 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is DCCRBZGPLOXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-10-5-3-4-8-18(10)11-6-7-12(13(15)9-11)14(16)17-19/h6-7,9-10,19H,2-5,8H2,1H3,(H2,16,17).
What are the key properties of 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 326.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 107278551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).