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

C12H24N4O2 — CID 77012501

IUPACN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H24N4O2/c1-10(12(13)14-17)16-6-4-15(5-7-16)9-11-3-2-8-18-11/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyWVIOPLXJHARGQB-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.08
Rot. Bonds4

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

N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide (PubChem CID 77012501) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
PubChem CID77012501
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H24N4O2/c1-10(12(13)14-17)16-6-4-15(5-7-16)9-11-3-2-8-18-11/h10-11,17H,2-9H2,1H3,(H2,13,14)
InChIKeyWVIOPLXJHARGQB-UHFFFAOYSA-N
XLogP-0.08
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
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-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide (CID 77012501) is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
The InChIKey is WVIOPLXJHARGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-10(12(13)14-17)16-6-4-15(5-7-16)9-11-3-2-8-18-11/h10-11,17H,2-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide has a molecular weight of 256.35 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).