N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide

C13H28N4O2 — CID 77032943

IUPACN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C13H28N4O2/c1-4-11(9-12(14)15-19)17-7-5-16(6-8-17)10-13(2,3)18/h11,18-19H,4-10H2,1-3H3,(H2,14,15)
InChIKeyFVGVOFUSQALGSL-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.29
Rot. Bonds6

About N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide

N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide (PubChem CID 77032943) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide
PubChem CID77032943
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide
SMILESCCC(CC(N)=NO)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C13H28N4O2/c1-4-11(9-12(14)15-19)17-7-5-16(6-8-17)10-13(2,3)18/h11,18-19H,4-10H2,1-3H3,(H2,14,15)
InChIKeyFVGVOFUSQALGSL-UHFFFAOYSA-N
XLogP0.29
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide (CID 77032943) is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide is CCC(CC(N)=NO)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide?
The InChIKey is FVGVOFUSQALGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-4-11(9-12(14)15-19)17-7-5-16(6-8-17)10-13(2,3)18/h11,18-19H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide has a molecular weight of 272.39 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 77032943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).