2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide

C12H26N4O — CID 55202349

IUPAC2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide
SMILESCCCCN1CCN(C(CC)/C(N)=N/O)CC1
InChIInChI=1S/C12H26N4O/c1-3-5-6-15-7-9-16(10-8-15)11(4-2)12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyJJHIDPQOKQFDFY-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.93
Rot. Bonds6

About 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide

2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide (PubChem CID 55202349) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide
PubChem CID55202349
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide
SMILESCCCCN1CCN(C(CC)/C(N)=N/O)CC1
InChIInChI=1S/C12H26N4O/c1-3-5-6-15-7-9-16(10-8-15)11(4-2)12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14)
InChIKeyJJHIDPQOKQFDFY-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.93
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 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide?
The IUPAC name of 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide (CID 55202349) is 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide?
The canonical SMILES for 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide is CCCCN1CCN(C(CC)/C(N)=N/O)CC1.
What is the InChIKey of 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide?
The InChIKey is JJHIDPQOKQFDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-3-5-6-15-7-9-16(10-8-15)11(4-2)12(13)14-17/h11,17H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide?
2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylpiperazin-1-yl)-N'-hydroxybutanimidamide is sourced from PubChem (CID 55202349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).