2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide

C10H22N6O2 — CID 87561124

IUPAC2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N\O)N1CCN(C(C)/C(N)=N\O)CC1
InChIInChI=1S/C10H22N6O2/c1-7(9(11)13-17)15-3-5-16(6-4-15)8(2)10(12)14-18/h7-8,17-18H,3-6H2,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyQAFLVXONPPBEQR-UHFFFAOYSA-N
MW258.33 g/mol
LogP-1.13
Rot. Bonds4

About 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide

2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide (PubChem CID 87561124) has the molecular formula C10H22N6O2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
PubChem CID87561124
Molecular FormulaC10H22N6O2
Molecular Weight258.33 g/mol
Exact Mass258.18
IUPAC Name2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N\O)N1CCN(C(C)/C(N)=N\O)CC1
InChIInChI=1S/C10H22N6O2/c1-7(9(11)13-17)15-3-5-16(6-4-15)8(2)10(12)14-18/h7-8,17-18H,3-6H2,1-2H3,(H2,11,13)(H2,12,14)
InChIKeyQAFLVXONPPBEQR-UHFFFAOYSA-N
XLogP-1.13
TPSA123.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 76981202
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypropanimidamide
CID 76986657
2-(3-azaspiro[5.5]undecan-3-yl)-N'-hydroxypropanimidamide
CID 76981163
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 106669726
N'-hydroxy-2-(4-propylsulfonylpiperazin-1-yl)propanimidamide
CID 77012625
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012386
N'-hydroxy-2-[4-(3-methylsulfanylpropyl)piperazin-1-yl]propanimidamide
CID 113473628
2-[4-(2-cyclopropylacetyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 55202553
N'-hydroxy-2-[4-(2-methylsulfonylacetyl)piperazin-1-yl]propanimidamide
CID 77015089
N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide
CID 77012268
2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N'-hydroxypropanimidamide
CID 77012378
N'-hydroxy-2-[4-(3-methylcyclohexyl)piperazin-1-yl]propanimidamide
CID 77034332

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide (CID 87561124) is 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide is CC(/C(N)=N\O)N1CCN(C(C)/C(N)=N\O)CC1.
What is the InChIKey of 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide?
The InChIKey is QAFLVXONPPBEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6O2/c1-7(9(11)13-17)15-3-5-16(6-4-15)8(2)10(12)14-18/h7-8,17-18H,3-6H2,1-2H3,(H2,11,13)(H2,12,14).
What are the key properties of 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide?
2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide has a molecular weight of 258.33 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1E)-1-amino-1-hydroxyiminopropan-2-yl]piperazin-1-yl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 87561124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).