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

C15H24N4O2 — CID 76883662

IUPACN'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
SMILESCOc1ccccc1N1CCN(C(C)CC(N)=NO)CC1
InChIInChI=1S/C15H24N4O2/c1-12(11-15(16)17-20)18-7-9-19(10-8-18)13-5-3-4-6-14(13)21-2/h3-6,12,20H,7-11H2,1-2H3,(H2,16,17)
InChIKeyOOHHCPTXOSWXLS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.34
Rot. Bonds5

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

N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide (PubChem CID 76883662) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
PubChem CID76883662
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide
SMILESCOc1ccccc1N1CCN(C(C)CC(N)=NO)CC1
InChIInChI=1S/C15H24N4O2/c1-12(11-15(16)17-20)18-7-9-19(10-8-18)13-5-3-4-6-14(13)21-2/h3-6,12,20H,7-11H2,1-2H3,(H2,16,17)
InChIKeyOOHHCPTXOSWXLS-UHFFFAOYSA-N
XLogP1.34
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.34
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'}

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 60915055
methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
2-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 62901603
1-[(2S)-1-(4-fluorophenyl)propan-2-yl]-4-(2-methoxyphenyl)piperazine
CID 40514838
(1S,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 46832946
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutanoic acid
CID 22681684
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylpropanamide
CID 17392933
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
(2R)-N-[2-(dimethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 92984615
5-[1-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxylic acid
CID 20989921

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide (CID 76883662) is N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide is COc1ccccc1N1CCN(C(C)CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide?
The InChIKey is OOHHCPTXOSWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(11-15(16)17-20)18-7-9-19(10-8-18)13-5-3-4-6-14(13)21-2/h3-6,12,20H,7-11H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide has a molecular weight of 292.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 76883662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).