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

C13H20N4O2 — CID 2742045

IUPACN'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide
SMILESCOc1ccccc1N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C13H20N4O2/c1-19-12-5-3-2-4-11(12)17-8-6-16(7-9-17)10-13(14)15-18/h2-5,18H,6-10H2,1H3,(H2,14,15)
InChIKeyFQCMHGPDEIGAMC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.56
Rot. Bonds4

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

N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide (PubChem CID 2742045) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide
PubChem CID2742045
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide
SMILESCOc1ccccc1N1CCN(CC(N)=NO)CC1
InChIInChI=1S/C13H20N4O2/c1-19-12-5-3-2-4-11(12)17-8-6-16(7-9-17)10-13(14)15-18/h2-5,18H,6-10H2,1H3,(H2,14,15)
InChIKeyFQCMHGPDEIGAMC-UHFFFAOYSA-N
XLogP0.56
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide (CID 2742045) is N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide is COc1ccccc1N1CCN(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide?
The InChIKey is FQCMHGPDEIGAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-12-5-3-2-4-11(12)17-8-6-16(7-9-17)10-13(14)15-18/h2-5,18H,6-10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide has a molecular weight of 264.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 2742045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).