4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide

C18H30IN3O — CID 111958540

IUPAC4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCC(C)c2ccccc2)CC1.I
InChIInChI=1S/C18H29N3O.HI/c1-4-22-17-10-12-21(13-11-17)18(19-3)20-14-15(2)16-8-6-5-7-9-16;/h5-9,15,17H,4,10-14H2,1-3H3,(H,19,20);1H
InChIKeyWGKGETJJOCIDBU-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.48
Rot. Bonds5

About 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111958540) has the molecular formula C18H30IN3O and a molecular weight of 431.36 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111958540
Molecular FormulaC18H30IN3O
Molecular Weight431.36 g/mol
Exact Mass431.14
IUPAC Name4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCC(C)c2ccccc2)CC1.I
InChIInChI=1S/C18H29N3O.HI/c1-4-22-17-10-12-21(13-11-17)18(19-3)20-14-15(2)16-8-6-5-7-9-16;/h5-9,15,17H,4,10-14H2,1-3H3,(H,19,20);1H
InChIKeyWGKGETJJOCIDBU-UHFFFAOYSA-N
XLogP3.48
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958911
methyl 1-[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253186
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
4-ethoxy-N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide
CID 111958495
4-ethoxy-N-[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide
CID 111960665
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N-[2-(3,4-difluorophenyl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109428018
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958183
4-ethoxy-N'-methyl-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959772

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111958540) is 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCC(C)c2ccccc2)CC1.I.
What is the InChIKey of 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is WGKGETJJOCIDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.HI/c1-4-22-17-10-12-21(13-11-17)18(19-3)20-14-15(2)16-8-6-5-7-9-16;/h5-9,15,17H,4,10-14H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 431.36 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).