2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C12H26N4O — CID 82926646

IUPAC2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCC(CC)CN1CCN(CC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-3-11(4-2)9-15-5-7-16(8-6-15)10-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyGHSHUOBGSBVQDV-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.79
Rot. Bonds6

About 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 82926646) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID82926646
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCCC(CC)CN1CCN(CC(N)=NO)CC1
InChIInChI=1S/C12H26N4O/c1-3-11(4-2)9-15-5-7-16(8-6-15)10-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyGHSHUOBGSBVQDV-UHFFFAOYSA-N
XLogP0.79
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.79
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'}

Analyze 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 82926646) is 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide is CCC(CC)CN1CCN(CC(N)=NO)CC1.
What is the InChIKey of 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is GHSHUOBGSBVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-11(4-2)9-15-5-7-16(8-6-15)10-12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylbutyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 82926646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).