N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide

C12H18N4O — CID 57368864

IUPACN'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
SMILESNC(CN1CCN(c2ccccc2)CC1)=NO
InChIInChI=1S/C12H18N4O/c13-12(14-17)10-15-6-8-16(9-7-15)11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H2,13,14)
InChIKeyTZUXXQXVGHTXSL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.56
Rot. Bonds3

About N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide

N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide (PubChem CID 57368864) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
PubChem CID57368864
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
SMILESNC(CN1CCN(c2ccccc2)CC1)=NO
InChIInChI=1S/C12H18N4O/c13-12(14-17)10-15-6-8-16(9-7-15)11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H2,13,14)
InChIKeyTZUXXQXVGHTXSL-UHFFFAOYSA-N
XLogP0.56
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.56
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-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 43085181
2-[4-(1,2,4-benzotriazin-3-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 103203998
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
N'-hydroxy-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanimidamide
CID 77011764
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77053306
N'-hydroxy-2-[4-(1-methyltetrazol-5-yl)piperazin-1-yl]ethanimidamide
CID 77011817
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
CID 24693412
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011934
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide (CID 57368864) is N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide is NC(CN1CCN(c2ccccc2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide?
The InChIKey is TZUXXQXVGHTXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(14-17)10-15-6-8-16(9-7-15)11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide?
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide has a molecular weight of 234.30 g/mol, XLogP of 0.56, 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-phenylpiperazin-1-yl)ethanimidamide is sourced from PubChem (CID 57368864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).