N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide

C15H24N4O — CID 107929738

IUPACN'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILESCCCN1CCN(c2ccc(C)cc2/C(N)=N/O)CC1
InChIInChI=1S/C15H24N4O/c1-3-6-18-7-9-19(10-8-18)14-5-4-12(2)11-13(14)15(16)17-20/h4-5,11,20H,3,6-10H2,1-2H3,(H2,16,17)
InChIKeyMCMLMPYMPIPGEW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.62
Rot. Bonds4

About N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide

N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 107929738) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
PubChem CID107929738
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
SMILESCCCN1CCN(c2ccc(C)cc2/C(N)=N/O)CC1
InChIInChI=1S/C15H24N4O/c1-3-6-18-7-9-19(10-8-18)14-5-4-12(2)11-13(14)15(16)17-20/h4-5,11,20H,3,6-10H2,1-2H3,(H2,16,17)
InChIKeyMCMLMPYMPIPGEW-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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

N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 114017234
N'-hydroxy-5-methyl-2-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 114017220
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938749
2-bromo-N'-hydroxy-6-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 114883077
N'-hydroxy-5-methyl-2-(2-propylimidazol-1-yl)benzenecarboximidamide
CID 107930079
5-fluoro-N'-hydroxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 77004304
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929913
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
2-(4-ethylazepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77024659
2-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929923

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide (CID 107929738) is N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide is CCCN1CCN(c2ccc(C)cc2/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is MCMLMPYMPIPGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-6-18-7-9-19(10-8-18)14-5-4-12(2)11-13(14)15(16)17-20/h4-5,11,20H,3,6-10H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide?
N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 107929738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).