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

C10H22N4O — CID 77012111

IUPACN'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C)CC1
InChIInChI=1S/C10H22N4O/c1-3-4-9(10(11)12-15)14-7-5-13(2)6-8-14/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyWXQICQIIKPAROE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.15
Rot. Bonds4

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

N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide (PubChem CID 77012111) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
PubChem CID77012111
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(C)CC1
InChIInChI=1S/C10H22N4O/c1-3-4-9(10(11)12-15)14-7-5-13(2)6-8-14/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyWXQICQIIKPAROE-UHFFFAOYSA-N
XLogP0.15
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.15
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

2-(4-acetylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 55222178
2-[4-(2-ethylsulfanylethyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104863512
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-propylpiperazine-1-carboxamide
CID 77012597
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77046495
N'-hydroxy-2-[4-(2-methoxyacetyl)piperazin-1-yl]pentanimidamide
CID 77012839
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide
CID 77012125
N'-hydroxy-2-(4-pyrazin-2-ylpiperazin-1-yl)pentanimidamide
CID 77012355
4-(1-amino-1-hydroxyiminopentan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
CID 104892242
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
CID 76915824
N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
CID 77012073
2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 104776692

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide (CID 77012111) is N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide is CCCC(C(N)=NO)N1CCN(C)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
The InChIKey is WXQICQIIKPAROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-3-4-9(10(11)12-15)14-7-5-13(2)6-8-14/h9,15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide?
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide has a molecular weight of 214.31 g/mol, XLogP of 0.15, 4 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)pentanimidamide is sourced from PubChem (CID 77012111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).