N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide

C13H20N4O — CID 24700218

IUPACN'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
SMILESCc1cccc(N2CCN(C/C(N)=N/O)CC2)c1
InChIInChI=1S/C13H20N4O/c1-11-3-2-4-12(9-11)17-7-5-16(6-8-17)10-13(14)15-18/h2-4,9,18H,5-8,10H2,1H3,(H2,14,15)
InChIKeyVWUBUAOTAXJVRZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.86
Rot. Bonds3

About N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide (PubChem CID 24700218) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
PubChem CID24700218
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
SMILESCc1cccc(N2CCN(C/C(N)=N/O)CC2)c1
InChIInChI=1S/C13H20N4O/c1-11-3-2-4-12(9-11)17-7-5-16(6-8-17)10-13(14)15-18/h2-4,9,18H,5-8,10H2,1H3,(H2,14,15)
InChIKeyVWUBUAOTAXJVRZ-UHFFFAOYSA-N
XLogP0.86
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.86
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

N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864
2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24705538
potassium trifluoro-[3-[4-(3-methylphenyl)piperazin-1-yl]prop-1-en-2-yl]boranuide
CID 106745610
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 76915536
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide
CID 55064141
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-ol
CID 55055417
(2R)-1-[4-(3-methylphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-2-ol
CID 94183925
2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 43085181

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide (CID 24700218) is N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide is Cc1cccc(N2CCN(C/C(N)=N/O)CC2)c1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
The InChIKey is VWUBUAOTAXJVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-11-3-2-4-12(9-11)17-7-5-16(6-8-17)10-13(14)15-18/h2-4,9,18H,5-8,10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide has a molecular weight of 248.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 24700218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).