N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide

C15H24N4O — CID 76915536

IUPACN'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-3-14(15(16)17-20)19-9-7-18(8-10-19)13-6-4-5-12(2)11-13/h4-6,11,14,20H,3,7-10H2,1-2H3,(H2,16,17)
InChIKeyOYBKRSKRESNQOM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.64
Rot. Bonds4

About N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide

N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide (PubChem CID 76915536) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
PubChem CID76915536
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-3-14(15(16)17-20)19-9-7-18(8-10-19)13-6-4-5-12(2)11-13/h4-6,11,14,20H,3,7-10H2,1-2H3,(H2,16,17)
InChIKeyOYBKRSKRESNQOM-UHFFFAOYSA-N
XLogP1.64
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012258
3-[4-(3-methylphenyl)piperazin-1-yl]pentanethioamide
CID 43367697
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
CID 63069110
N'-hydroxy-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butanimidamide
CID 77059772
N'-ethyl-4-(3-methylphenyl)piperazine-1-carboximidamide
CID 55064141
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 24690645
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 103224480
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 106875388
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
CID 103229457
(2S)-2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119837587
2-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid
CID 20993320

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide (CID 76915536) is N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
The InChIKey is OYBKRSKRESNQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-14(15(16)17-20)19-9-7-18(8-10-19)13-6-4-5-12(2)11-13/h4-6,11,14,20H,3,7-10H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide has a molecular weight of 276.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 76915536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).