N'-hydroxy-4-methylpiperazine-1-carboximidamide

C6H14N4O — CID 62482673

IUPACN'-hydroxy-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C6H14N4O/c1-9-2-4-10(5-3-9)6(7)8-11/h11H,2-5H2,1H3,(H2,7,8)
InChIKeyJXVYVKVMVOGMAX-UHFFFAOYSA-N
MW158.20 g/mol
LogP-1.06
Rot. Bonds

About N'-hydroxy-4-methylpiperazine-1-carboximidamide

N'-hydroxy-4-methylpiperazine-1-carboximidamide (PubChem CID 62482673) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is N'-hydroxy-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methylpiperazine-1-carboximidamide
PubChem CID62482673
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC NameN'-hydroxy-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C6H14N4O/c1-9-2-4-10(5-3-9)6(7)8-11/h11H,2-5H2,1H3,(H2,7,8)
InChIKeyJXVYVKVMVOGMAX-UHFFFAOYSA-N
XLogP-1.06
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-methylpiperazine-1-carboximidamide (CID 62482673) is N'-hydroxy-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-methylpiperazine-1-carboximidamide?
The InChIKey is JXVYVKVMVOGMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O/c1-9-2-4-10(5-3-9)6(7)8-11/h11H,2-5H2,1H3,(H2,7,8).
What are the key properties of N'-hydroxy-4-methylpiperazine-1-carboximidamide?
N'-hydroxy-4-methylpiperazine-1-carboximidamide has a molecular weight of 158.20 g/mol, XLogP of -1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 62482673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).