4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide

C11H24N4O — CID 77000710

IUPAC4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide
SMILESCCN1CCN(CCCC(N)=NO)CC1C
InChIInChI=1S/C11H24N4O/c1-3-15-8-7-14(9-10(15)2)6-4-5-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyXHQMZAHSEMCPOL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.54
Rot. Bonds5

About 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide

4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide (PubChem CID 77000710) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide
PubChem CID77000710
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide
SMILESCCN1CCN(CCCC(N)=NO)CC1C
InChIInChI=1S/C11H24N4O/c1-3-15-8-7-14(9-10(15)2)6-4-5-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyXHQMZAHSEMCPOL-UHFFFAOYSA-N
XLogP0.54
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.54
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide (CID 77000710) is 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide is CCN1CCN(CCCC(N)=NO)CC1C.
What is the InChIKey of 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is XHQMZAHSEMCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-15-8-7-14(9-10(15)2)6-4-5-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide?
4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77000710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).