N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

C24H34IN3O — CID 111958668

IUPACN-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCCC(c2ccccc2)c2ccccc2)CC1.I
InChIInChI=1S/C24H33N3O.HI/c1-3-28-22-15-18-27(19-16-22)24(25-2)26-17-14-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,22-23H,3,14-19H2,1-2H3,(H,25,26);1H
InChIKeyWAVQJBHSFRQTOU-UHFFFAOYSA-N
MW507.46 g/mol
LogP4.90
Rot. Bonds7

About N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111958668) has the molecular formula C24H34IN3O and a molecular weight of 507.46 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111958668
Molecular FormulaC24H34IN3O
Molecular Weight507.46 g/mol
Exact Mass507.17
IUPAC NameN-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCCC(c2ccccc2)c2ccccc2)CC1.I
InChIInChI=1S/C24H33N3O.HI/c1-3-28-22-15-18-27(19-16-22)24(25-2)26-17-14-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,22-23H,3,14-19H2,1-2H3,(H,25,26);1H
InChIKeyWAVQJBHSFRQTOU-UHFFFAOYSA-N
XLogP4.90
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.46
LogP ≤ 54.90
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
4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958540
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N'-methyl-N-(3-methylbutyl)-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425993
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959165
4-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958496
4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959216
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N-benzyl-3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propanamide
CID 111960875
4-ethoxy-N'-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958874
4-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111958497

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 111958668) is N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCCC(c2ccccc2)c2ccccc2)CC1.I.
What is the InChIKey of N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is WAVQJBHSFRQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O.HI/c1-3-28-22-15-18-27(19-16-22)24(25-2)26-17-14-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-13,22-23H,3,14-19H2,1-2H3,(H,25,26);1H.
What are the key properties of N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 507.46 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).