5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

C14H20ClN3O — CID 55078907

IUPAC5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2ccc(Cl)cc2/C(N)=N/O)C1
InChIInChI=1S/C14H20ClN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(15)8-12(13)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyILRGXRMBHNOCOM-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.06
Rot. Bonds3

About 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide

5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 55078907) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID55078907
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCN(c2ccc(Cl)cc2/C(N)=N/O)C1
InChIInChI=1S/C14H20ClN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(15)8-12(13)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17)
InChIKeyILRGXRMBHNOCOM-UHFFFAOYSA-N
XLogP3.06
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.06
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

5-chloro-2-(4-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944687
3-chloro-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76984457
4-chloro-2-(4-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77024630
5-chloro-2-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 77109614
2-bromo-4-(3-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107535843
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-chloro-N'-hydroxybenzenecarboximidamide
CID 79916259
3-bromo-4-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82799177
5-chloro-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944937
5-chloro-N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 77135908
5-chloro-2-(3,3-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77016603
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 43590319
5-chloro-N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)benzenecarboximidamide
CID 107404762

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 55078907) is 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is CCC1CCCN(c2ccc(Cl)cc2/C(N)=N/O)C1.
What is the InChIKey of 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is ILRGXRMBHNOCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-10-4-3-7-18(9-10)13-6-5-11(15)8-12(13)14(16)17-19/h5-6,8,10,19H,2-4,7,9H2,1H3,(H2,16,17).
What are the key properties of 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide?
5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.79 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55078907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).