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

C13H26N4O2 — CID 77012130

IUPACN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C13H26N4O2/c1-2-12(13(14)15-18)17-7-5-16(6-8-17)10-11-4-3-9-19-11/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyBMZHIROAEDHUCW-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.31
Rot. Bonds5

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

N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide (PubChem CID 77012130) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide
PubChem CID77012130
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C13H26N4O2/c1-2-12(13(14)15-18)17-7-5-16(6-8-17)10-11-4-3-9-19-11/h11-12,18H,2-10H2,1H3,(H2,14,15)
InChIKeyBMZHIROAEDHUCW-UHFFFAOYSA-N
XLogP0.31
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.31
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'}

Analyze N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide (CID 77012130) is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide?
The InChIKey is BMZHIROAEDHUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-2-12(13(14)15-18)17-7-5-16(6-8-17)10-11-4-3-9-19-11/h11-12,18H,2-10H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide has a molecular weight of 270.38 g/mol, XLogP of 0.31, 5 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]butanimidamide is sourced from PubChem (CID 77012130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).