N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide

C23H31N3O — CID 111958951

IUPACN-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-27-21-14-16-26(17-15-21)23(24-2)25-18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,3,14-18H2,1-2H3,(H,24,25)
InChIKeyQBQKQAPTKULCRT-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.89
Rot. Bonds6

About N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide

N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide (PubChem CID 111958951) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
PubChem CID111958951
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-27-21-14-16-26(17-15-21)23(24-2)25-18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,3,14-18H2,1-2H3,(H,24,25)
InChIKeyQBQKQAPTKULCRT-UHFFFAOYSA-N
XLogP3.89
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.89
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'}

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Related Compounds

4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958540
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
4-ethoxy-N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide
CID 111958495
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958911
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-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958183
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
4-ethoxy-N'-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide
CID 111959415
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
4-ethoxy-N'-methyl-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959772
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427759

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide (CID 111958951) is N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
The InChIKey is QBQKQAPTKULCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-27-21-14-16-26(17-15-21)23(24-2)25-18-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,3,14-18H2,1-2H3,(H,24,25).
What are the key properties of N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide?
N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide has a molecular weight of 365.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111958951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).