4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide

C20H30IN5O — CID 111959216

IUPAC4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCCNc2ccc3ccccc3n2)CC1.I
InChIInChI=1S/C20H29N5O.HI/c1-3-26-17-10-14-25(15-11-17)20(21-2)23-13-12-22-19-9-8-16-6-4-5-7-18(16)24-19;/h4-9,17H,3,10-15H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyLMMPBVMTHYUTPK-UHFFFAOYSA-N
MW483.40 g/mol
LogP3.34
Rot. Bonds6

About 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111959216) has the molecular formula C20H30IN5O and a molecular weight of 483.40 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111959216
Molecular FormulaC20H30IN5O
Molecular Weight483.40 g/mol
Exact Mass483.15
IUPAC Name4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCCNc2ccc3ccccc3n2)CC1.I
InChIInChI=1S/C20H29N5O.HI/c1-3-26-17-10-14-25(15-11-17)20(21-2)23-13-12-22-19-9-8-16-6-4-5-7-18(16)24-19;/h4-9,17H,3,10-15H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyLMMPBVMTHYUTPK-UHFFFAOYSA-N
XLogP3.34
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N',4-dimethyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide
CID 111211199
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111184689
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperazine-1-carboximidamide
CID 111184690
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
4-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958496
4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959186
4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide
CID 111959403
4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959434
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111261939
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111959216) is 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N\C)NCCNc2ccc3ccccc3n2)CC1.I.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is LMMPBVMTHYUTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.HI/c1-3-26-17-10-14-25(15-11-17)20(21-2)23-13-12-22-19-9-8-16-6-4-5-7-18(16)24-19;/h4-9,17H,3,10-15H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 483.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).