4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide

C18H28IN3O — CID 109415037

IUPAC4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOC)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C18H27N3O.HI/c1-19-18(20-11-6-14-22-2)21-12-9-17(10-13-21)15-16-7-4-3-5-8-16;/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,19,20);1H
InChIKeyXDFNCPRLVKSJSF-UHFFFAOYSA-N
MW429.35 g/mol
LogP3.40
Rot. Bonds5

About 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide

4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109415037) has the molecular formula C18H28IN3O and a molecular weight of 429.35 g/mol. Its IUPAC name is 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109415037
Molecular FormulaC18H28IN3O
Molecular Weight429.35 g/mol
Exact Mass429.13
IUPAC Name4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCOC)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C18H27N3O.HI/c1-19-18(20-11-6-14-22-2)21-12-9-17(10-13-21)15-16-7-4-3-5-8-16;/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,19,20);1H
InChIKeyXDFNCPRLVKSJSF-UHFFFAOYSA-N
XLogP3.40
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 53.40
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-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415041
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109414683
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 109415148
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 109415014
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
N-(3-methoxypropyl)-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110947012
3-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109414472
4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide
CID 109414401
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109414496

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 109415037) is 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCOC)N1CCC(=Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is XDFNCPRLVKSJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.HI/c1-19-18(20-11-6-14-22-2)21-12-9-17(10-13-21)15-16-7-4-3-5-8-16;/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide?
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 429.35 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109415037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).