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

C11H24N4O — CID 43585303

IUPACN'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide
SMILESCC(C)N1CCN(CCC/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O/c1-10(2)15-8-6-14(7-9-15)5-3-4-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyBZVUTAAILPKEJB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.54
Rot. Bonds5

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

N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide (PubChem CID 43585303) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide
PubChem CID43585303
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC NameN'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide
SMILESCC(C)N1CCN(CCC/C(N)=N/O)CC1
InChIInChI=1S/C11H24N4O/c1-10(2)15-8-6-14(7-9-15)5-3-4-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyBZVUTAAILPKEJB-UHFFFAOYSA-N
XLogP0.54
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

(1Z)-N'-Hydroxy-3-(4-methyl-1-piperazinyl)propanimidamide
CID 24692428
N'-hydroxy-2-(2-methylpiperidin-1-yl)ethanimidamide
CID 24697492
2-(2,6-dimethylpiperidin-1-yl)-N'-hydroxyethanimidamide
CID 24699314
CID 74313834
CID 74313834
Piperidinopropioamidoxime
CID 76175176
Piperidinopropionamidoxime hydro chloride
CID 129771910
e-Piperidinopropioamidoxime
CID 129771937
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139613
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139614
N'-hydroxy-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76209340
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76209341
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 76979185

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide (CID 43585303) is N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide is CC(C)N1CCN(CCC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
The InChIKey is BZVUTAAILPKEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(2)15-8-6-14(7-9-15)5-3-4-11(12)13-16/h10,16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide?
N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide has a molecular weight of 228.34 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-propan-2-ylpiperazin-1-yl)butanimidamide is sourced from PubChem (CID 43585303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).