4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride

C13H23Cl3N4O — CID 139714848

IUPAC4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
SMILESCCN1CCN(c2ccc(C(N)=NO)cc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C13H20N4O.3ClH/c1-2-16-7-9-17(10-8-16)12-5-3-11(4-6-12)13(14)15-18;;;/h3-6,18H,2,7-10H2,1H3,(H2,14,15);3*1H
InChIKeyLVWLJHOJAFXYIF-UHFFFAOYSA-N
MW357.71 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride

4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride (PubChem CID 139714848) has the molecular formula C13H23Cl3N4O and a molecular weight of 357.71 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
PubChem CID139714848
Molecular FormulaC13H23Cl3N4O
Molecular Weight357.71 g/mol
Exact Mass356.09
IUPAC Name4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
SMILESCCN1CCN(c2ccc(C(N)=NO)cc2)CC1.Cl.Cl.Cl
InChIInChI=1S/C13H20N4O.3ClH/c1-2-16-7-9-17(10-8-16)12-5-3-11(4-6-12)13(14)15-18;;;/h3-6,18H,2,7-10H2,1H3,(H2,14,15);3*1H
InChIKeyLVWLJHOJAFXYIF-UHFFFAOYSA-N
XLogP2.19
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.71
LogP ≤ 52.19
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

4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
4-(4-ethylpiperazine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333210
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
CID 43188193
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
N'-butyl-4-[4-[4-(N'-butylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzenecarboximidamide;dihydrochloride
CID 15954190
sodium 4-(4-ethylpiperazin-1-yl)benzenethiolate
CID 163265369
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
4-[(4-ethylpiperazin-1-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 24705768
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76945319
N'-(3-hydroxypropyl)-4-[4-[4-[N'-(3-hydroxypropyl)carbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;dihydrochloride
CID 45263705
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride (CID 139714848) is 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride is CCN1CCN(c2ccc(C(N)=NO)cc2)CC1.Cl.Cl.Cl.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride?
The InChIKey is LVWLJHOJAFXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.3ClH/c1-2-16-7-9-17(10-8-16)12-5-3-11(4-6-12)13(14)15-18;;;/h3-6,18H,2,7-10H2,1H3,(H2,14,15);3*1H.
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride?
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride has a molecular weight of 357.71 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride is sourced from PubChem (CID 139714848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).