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

C11H24N4O2 — CID 77033070

IUPACN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(O)CN1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C11H24N4O2/c1-11(2,16)9-15-7-5-14(6-8-15)4-3-10(12)13-17/h16-17H,3-9H2,1-2H3,(H2,12,13)
InChIKeyNSOAMJHZZRKPAH-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.49
Rot. Bonds5

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

N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide (PubChem CID 77033070) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
PubChem CID77033070
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(O)CN1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C11H24N4O2/c1-11(2,16)9-15-7-5-14(6-8-15)4-3-10(12)13-17/h16-17H,3-9H2,1-2H3,(H2,12,13)
InChIKeyNSOAMJHZZRKPAH-UHFFFAOYSA-N
XLogP-0.49
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide (CID 77033070) is N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide is CC(C)(O)CN1CCN(CCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
The InChIKey is NSOAMJHZZRKPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-11(2,16)9-15-7-5-14(6-8-15)4-3-10(12)13-17/h16-17H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.49, 5 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]propanimidamide is sourced from PubChem (CID 77033070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).