2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide

C13H19ClN4O — CID 76945319

IUPAC2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCN1CCN(c2cccc(Cl)c2C(N)=NO)CC1
InChIInChI=1S/C13H19ClN4O/c1-2-17-6-8-18(9-7-17)11-5-3-4-10(14)12(11)13(15)16-19/h3-5,19H,2,6-9H2,1H3,(H2,15,16)
InChIKeyYYWAICOWVUETMA-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.58
Rot. Bonds3

About 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide

2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 76945319) has the molecular formula C13H19ClN4O and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID76945319
Molecular FormulaC13H19ClN4O
Molecular Weight282.77 g/mol
Exact Mass282.12
IUPAC Name2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
SMILESCCN1CCN(c2cccc(Cl)c2C(N)=NO)CC1
InChIInChI=1S/C13H19ClN4O/c1-2-17-6-8-18(9-7-17)11-5-3-4-10(14)12(11)13(15)16-19/h3-5,19H,2,6-9H2,1H3,(H2,15,16)
InChIKeyYYWAICOWVUETMA-UHFFFAOYSA-N
XLogP1.58
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.58
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

2-chloro-N'-hydroxy-6-(4-methylpiperazin-1-yl)benzenecarboximidamide
CID 76945351
2-chloro-N'-hydroxy-6-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 76945092
2-chloro-N'-hydroxy-6-thiomorpholin-4-ylbenzenecarboximidamide
CID 76945411
2-chloro-N'-hydroxy-6-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 76945282
2-chloro-N'-hydroxy-6-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77002018
2-chloro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 77000772
2-chloro-6-(1,3-dihydroisoindol-2-yl)-N'-hydroxybenzenecarboximidamide
CID 76945118
2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 114883077
2-chloro-6-(2-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 104690008
2-chloro-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 62502940
2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 43085181
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide (CID 76945319) is 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide is CCN1CCN(c2cccc(Cl)c2C(N)=NO)CC1.
What is the InChIKey of 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is YYWAICOWVUETMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-2-17-6-8-18(9-7-17)11-5-3-4-10(14)12(11)13(15)16-19/h3-5,19H,2,6-9H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide?
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 282.77 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76945319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).