4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide

C21H34IN3O — CID 109415437

IUPAC4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCOCC)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C21H33N3O.HI/c1-3-22-21(23-14-8-9-17-25-4-2)24-15-12-20(13-16-24)18-19-10-6-5-7-11-19;/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3,(H,22,23);1H
InChIKeyKJLPULDOOKIEDJ-UHFFFAOYSA-N
MW471.43 g/mol
LogP4.57
Rot. Bonds8

About 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide

4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109415437) has the molecular formula C21H34IN3O and a molecular weight of 471.43 g/mol. Its IUPAC name is 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109415437
Molecular FormulaC21H34IN3O
Molecular Weight471.43 g/mol
Exact Mass471.17
IUPAC Name4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCCOCC)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C21H33N3O.HI/c1-3-22-21(23-14-8-9-17-25-4-2)24-15-12-20(13-16-24)18-19-10-6-5-7-11-19;/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3,(H,22,23);1H
InChIKeyKJLPULDOOKIEDJ-UHFFFAOYSA-N
XLogP4.57
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-benzylidene-N-ethyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 109414911
4-benzylidene-N-ethyl-N'-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-carboximidamide;hydroiodide
CID 109414922
4-benzylidene-N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]piperidine-1-carboximidamide
CID 109414630
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N'-[4-(1,3-dihydroisoindol-2-yl)-4-oxobutyl]-N-ethylpiperidine-1-carboximidamide
CID 109415557
3-[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 109415279
3-[[(4-benzylidenepiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 109414572
4-benzylidene-N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109414750
4-benzylidene-N'-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 109415551
4-benzylidene-N-ethyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide
CID 109415244
N'-(4-ethoxybutyl)-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide;hydroiodide
CID 111133402
N'-(4-ethoxybutyl)-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219436

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide (CID 109415437) is 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCCOCC)N1CCC(=Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is KJLPULDOOKIEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O.HI/c1-3-22-21(23-14-8-9-17-25-4-2)24-15-12-20(13-16-24)18-19-10-6-5-7-11-19;/h5-7,10-11,18H,3-4,8-9,12-17H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide?
4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 471.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N'-(4-ethoxybutyl)-N-ethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109415437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).