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

C11H24N4O2 — CID 77032945

IUPACN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C11H24N4O2/c1-9(10(12)13-17)15-6-4-14(5-7-15)8-11(2,3)16/h9,16-17H,4-8H2,1-3H3,(H2,12,13)
InChIKeyKJJDQOJURPACFB-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.49
Rot. Bonds4

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

N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide (PubChem CID 77032945) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
PubChem CID77032945
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C11H24N4O2/c1-9(10(12)13-17)15-6-4-14(5-7-15)8-11(2,3)16/h9,16-17H,4-8H2,1-3H3,(H2,12,13)
InChIKeyKJJDQOJURPACFB-UHFFFAOYSA-N
XLogP-0.49
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.49
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-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide (CID 77032945) is N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(CC(C)(C)O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
The InChIKey is KJJDQOJURPACFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-9(10(12)13-17)15-6-4-14(5-7-15)8-11(2,3)16/h9,16-17H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77032945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).