3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

C14H20BrN3O — CID 82799177

IUPAC3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2ccc(/C(N)=N/O)cc2Br)C1
InChIInChI=1S/C14H20BrN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(8-12(13)15)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyIFSALXOJQTZFJH-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.17
Rot. Bonds3

About 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 82799177) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID82799177
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2ccc(/C(N)=N/O)cc2Br)C1
InChIInChI=1S/C14H20BrN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(8-12(13)15)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyIFSALXOJQTZFJH-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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

3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984457
3-bromo-4-(3-ethylpiperidin-1-yl)benzenecarbothioamide
CID 82805181
3-bromo-4-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799600
1-[3-bromo-4-(3-ethylpiperidin-1-yl)phenyl]ethanone
CID 62910168
3-bromo-4-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799919
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-bromo-N'-hydroxybenzenecarboximidamide
CID 82799287
2-bromo-4-(3-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535843
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-bromo-N'-hydroxybenzenecarboximidamide
CID 82787021
5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 55078907
3-bromo-4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 82799389
3-bromo-4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799275
3-bromo-N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)benzenecarboximidamide
CID 107404742

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 82799177) is 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is CCC1CCCN(c2ccc(/C(N)=N/O)cc2Br)C1.
What is the InChIKey of 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is IFSALXOJQTZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(8-12(13)15)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17).
What are the key properties of 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 326.24 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 82799177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).