N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide

C8H18N4O — CID 62481282

IUPACN'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)N1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H18N4O/c1-7(2)11-3-5-12(6-4-11)8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyPCIKAXZOTJSDML-UHFFFAOYSA-N
MW186.26 g/mol
LogP-0.28
Rot. Bonds1

About N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide

N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 62481282) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide
PubChem CID62481282
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC NameN'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)N1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C8H18N4O/c1-7(2)11-3-5-12(6-4-11)8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10)
InChIKeyPCIKAXZOTJSDML-UHFFFAOYSA-N
XLogP-0.28
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide (CID 62481282) is N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide is CC(C)N1CCN(/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is PCIKAXZOTJSDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c1-7(2)11-3-5-12(6-4-11)8(9)10-13/h7,13H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide?
N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 186.26 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-propan-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 62481282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).