N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide

C11H24N4O — CID 76915824

IUPACN'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N4O/c1-4-10(11(12)13-16)15-7-5-14(6-8-15)9(2)3/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyBDLKAPDFICEWPK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.54
Rot. Bonds4

About N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide

N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide (PubChem CID 76915824) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
PubChem CID76915824
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide
SMILESCCC(C(N)=NO)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H24N4O/c1-4-10(11(12)13-16)15-7-5-14(6-8-15)9(2)3/h9-10,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyBDLKAPDFICEWPK-UHFFFAOYSA-N
XLogP0.54
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.54
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-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxybutanimidamide
CID 76915793
2-[4-(2-fluoroethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 80693908
N'-hydroxy-2-(4-pentylpiperazin-1-yl)butanimidamide
CID 77012073
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 76915724
N'-hydroxy-2-[4-(methylsulfonylmethylsulfonyl)piperazin-1-yl]butanimidamide
CID 82833756
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012475
N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide
CID 77059772
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012258
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76915531
4-(1-amino-1-hydroxyiminobutan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 104858959
N'-hydroxy-2-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]butanimidamide
CID 77064371

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide (CID 76915824) is N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide is CCC(C(N)=NO)N1CCN(C(C)C)CC1.
What is the InChIKey of N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The InChIKey is BDLKAPDFICEWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-10(11(12)13-16)15-7-5-14(6-8-15)9(2)3/h9-10,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
N'-hydroxy-2-(4-propan-2-ylpiperazin-1-yl)butanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.54, 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-propan-2-ylpiperazin-1-yl)butanimidamide is sourced from PubChem (CID 76915824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).