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

C12H17ClN4O — CID 43085181

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(c2ccccc2Cl)CC1)=N\O
InChIInChI=1S/C12H17ClN4O/c13-10-3-1-2-4-11(10)17-7-5-16(6-8-17)9-12(14)15-18/h1-4,18H,5-9H2,(H2,14,15)
InChIKeyGPWZRXQEBMGZGA-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.21
Rot. Bonds3

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

2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 43085181) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID43085181
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCN(c2ccccc2Cl)CC1)=N\O
InChIInChI=1S/C12H17ClN4O/c13-10-3-1-2-4-11(10)17-7-5-16(6-8-17)9-12(14)15-18/h1-4,18H,5-9H2,(H2,14,15)
InChIKeyGPWZRXQEBMGZGA-UHFFFAOYSA-N
XLogP1.21
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.21
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-chlorophenyl)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

Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
N'-hydroxy-2-(4-phenylpiperazin-1-yl)ethanimidamide
CID 57368864
potassium 3-[4-(2-chlorophenyl)piperazin-1-yl]prop-1-en-2-yl-trifluoroboranuide
CID 106745660
2-[4-(1,2,4-benzotriazin-3-yl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 103203998
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
2-chloro-6-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76945319
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 60649956
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 102616251
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 43085181) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide is N/C(CN1CCN(c2ccccc2Cl)CC1)=N\O.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is GPWZRXQEBMGZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-10-3-1-2-4-11(10)17-7-5-16(6-8-17)9-12(14)15-18/h1-4,18H,5-9H2,(H2,14,15).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 268.75 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 43085181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).