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

C15H24N4O — CID 24690645

IUPACN'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
SMILESCc1cccc(N2CCN(CCC/C(N)=N/O)CC2)c1
InChIInChI=1S/C15H24N4O/c1-13-4-2-5-14(12-13)19-10-8-18(9-11-19)7-3-6-15(16)17-20/h2,4-5,12,20H,3,6-11H2,1H3,(H2,16,17)
InChIKeyUOHWRZSGARLTCB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.64
Rot. Bonds5

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

N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide (PubChem CID 24690645) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
PubChem CID24690645
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
SMILESCc1cccc(N2CCN(CCC/C(N)=N/O)CC2)c1
InChIInChI=1S/C15H24N4O/c1-13-4-2-5-14(12-13)19-10-8-18(9-11-19)7-3-6-15(16)17-20/h2,4-5,12,20H,3,6-11H2,1H3,(H2,16,17)
InChIKeyUOHWRZSGARLTCB-UHFFFAOYSA-N
XLogP1.64
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24700218
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N'-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]morpholine-4-carboximidamide
CID 75511967
3-[4-(3-methylphenyl)piperazin-1-yl]propanoic acid;dihydrochloride
CID 43810604
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111062236
1-amino-2-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ol
CID 64818966
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
2-[4-(3-methylphenyl)piperazin-1-yl]ethanimidamide
CID 24705538
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]aniline
CID 22751185
N'-hydroxy-2-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide
CID 76915536
N'-hydroxy-4-(4-methylpiperazin-1-yl)butanimidamide
CID 24689656

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide (CID 24690645) is N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide is Cc1cccc(N2CCN(CCC/C(N)=N/O)CC2)c1.
What is the InChIKey of N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
The InChIKey is UOHWRZSGARLTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-13-4-2-5-14(12-13)19-10-8-18(9-11-19)7-3-6-15(16)17-20/h2,4-5,12,20H,3,6-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide has a molecular weight of 276.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(3-methylphenyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 24690645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).