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'}

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
4-(2-ethylbutyl)-N'-hydroxymorpholine-2-carboximidamide
CID 82926320
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide
CID 43581531
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011934
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
CID 77002434
N'-hydroxy-2-thiomorpholin-4-ylethanimidamide;dihydrochloride
CID 57368865
2-(4-cyclobutylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 121201830
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol
CID 104695290
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011838
N'-hydroxy-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanimidamide
CID 55201572
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77064349

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).