N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide

C10H18N6O — CID 77011953

IUPACN'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide
SMILESCn1ccnc1N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C10H18N6O/c1-14-3-2-12-10(14)16-6-4-15(5-7-16)8-9(11)13-17/h2-3,17H,4-8H2,1H3,(H2,11,13)
InChIKeyQULRUBQZRDTLGL-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.71
Rot. Bonds3

About N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide (PubChem CID 77011953) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide
PubChem CID77011953
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC NameN'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide
SMILESCn1ccnc1N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C10H18N6O/c1-14-3-2-12-10(14)16-6-4-15(5-7-16)8-9(11)13-17/h2-3,17H,4-8H2,1H3,(H2,11,13)
InChIKeyQULRUBQZRDTLGL-UHFFFAOYSA-N
XLogP-0.71
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide
CID 77011817
3-[4-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62132366
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77053306
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864
N'-hydroxy-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanimidamide
CID 55201572
1-(1-methylimidazol-2-yl)piperidine;dihydrochloride
CID 141222572
1-(1-methylimidazol-2-yl)-4-(4-pyrazol-1-ylbutyl)piperazine
CID 19751693
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 114869111
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
2-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011987
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77058053
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide (CID 77011953) is N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide is Cn1ccnc1N1CCN(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide?
The InChIKey is QULRUBQZRDTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-14-3-2-12-10(14)16-6-4-15(5-7-16)8-9(11)13-17/h2-3,17H,4-8H2,1H3,(H2,11,13).
What are the key properties of N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide has a molecular weight of 238.29 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77011953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).