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

C7H16N4O — CID 24695445

IUPACN'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide
SMILESCN1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C7H16N4O/c1-10-2-4-11(5-3-10)6-7(8)9-12/h12H,2-6H2,1H3,(H2,8,9)
InChIKeyOCKWQPYGAAJALM-UHFFFAOYSA-N
MW172.23 g/mol
LogP-1.02
Rot. Bonds2

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

N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide (PubChem CID 24695445) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide
PubChem CID24695445
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC NameN'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide
SMILESCN1CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C7H16N4O/c1-10-2-4-11(5-3-10)6-7(8)9-12/h12H,2-6H2,1H3,(H2,8,9)
InChIKeyOCKWQPYGAAJALM-UHFFFAOYSA-N
XLogP-1.02
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.02
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide (CID 24695445) is N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide is CN1CCN(C/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide?
The InChIKey is OCKWQPYGAAJALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4O/c1-10-2-4-11(5-3-10)6-7(8)9-12/h12H,2-6H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide?
N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide has a molecular weight of 172.23 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide is sourced from PubChem (CID 24695445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).