N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide

C9H20N4O — CID 24689656

IUPACN'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
SMILESCN1CCN(CCC/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O/c1-12-5-7-13(8-6-12)4-2-3-9(10)11-14/h14H,2-8H2,1H3,(H2,10,11)
InChIKeyRKXPJSKXTLUFKX-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.24
Rot. Bonds4

About N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide

N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide (PubChem CID 24689656) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
PubChem CID24689656
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
SMILESCN1CCN(CCC/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O/c1-12-5-7-13(8-6-12)4-2-3-9(10)11-14/h14H,2-8H2,1H3,(H2,10,11)
InChIKeyRKXPJSKXTLUFKX-UHFFFAOYSA-N
XLogP-0.24
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.24
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

4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-hydroxy-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 76949002
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
CID 77024693
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
4-(4-methyl-1,4-diazepan-1-yl)butanamide
CID 175411586
N'-hydroxy-4-(4-piperidin-1-ylpiperidin-1-yl)butanimidamide
CID 61216300
4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 24710363
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
4-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxybutanimidamide
CID 77000710
N'-hydroxy-3-[(4-methylpiperazin-1-yl)amino]propanimidamide
CID 83016301

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide (CID 24689656) is N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide is CN1CCN(CCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide?
The InChIKey is RKXPJSKXTLUFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-12-5-7-13(8-6-12)4-2-3-9(10)11-14/h14H,2-8H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide?
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide has a molecular weight of 200.29 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide is sourced from PubChem (CID 24689656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).