4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide

C18H29N3O2 — CID 111959903

IUPAC4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCOc2cccc(C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-22-16-8-11-21(12-9-16)18(19-3)20-10-13-23-17-7-5-6-15(2)14-17/h5-7,14,16H,4,8-13H2,1-3H3,(H,19,20)
InChIKeyGWLQTBOZUWKCTL-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.45
Rot. Bonds6

About 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide (PubChem CID 111959903) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
PubChem CID111959903
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCOc2cccc(C)c2)CC1
InChIInChI=1S/C18H29N3O2/c1-4-22-16-8-11-21(12-9-16)18(19-3)20-10-13-23-17-7-5-6-15(2)14-17/h5-7,14,16H,4,8-13H2,1-3H3,(H,19,20)
InChIKeyGWLQTBOZUWKCTL-UHFFFAOYSA-N
XLogP2.45
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111959723
N',3-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111143750
4-ethoxy-N'-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958874
4-ethoxy-N'-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]piperidine-1-carboximidamide
CID 111958703
4-ethoxy-N-[4-(4-fluorophenoxy)butyl]-N'-methylpiperidine-1-carboximidamide
CID 111958249
N'-[2-(3-bromophenoxy)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111958879
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111959713
ethyl 1-[N-[2-(3-chlorophenoxy)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155851
N-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960053
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide (CID 111959903) is 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCOc2cccc(C)c2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
The InChIKey is GWLQTBOZUWKCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-22-16-8-11-21(12-9-16)18(19-3)20-10-13-23-17-7-5-6-15(2)14-17/h5-7,14,16H,4,8-13H2,1-3H3,(H,19,20).
What are the key properties of 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide has a molecular weight of 319.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).