N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

C21H37IN4O — CID 111958580

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCc2ccc(CN(CC)CC)cc2)CC1.I
InChIInChI=1S/C21H36N4O.HI/c1-5-24(6-2)17-19-10-8-18(9-11-19)16-23-21(22-4)25-14-12-20(13-15-25)26-7-3;/h8-11,20H,5-7,12-17H2,1-4H3,(H,22,23);1H
InChIKeyVFIPFPRSFHQPKF-UHFFFAOYSA-N
MW488.46 g/mol
LogP3.72
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111958580) has the molecular formula C21H37IN4O and a molecular weight of 488.46 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111958580
Molecular FormulaC21H37IN4O
Molecular Weight488.46 g/mol
Exact Mass488.20
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCc2ccc(CN(CC)CC)cc2)CC1.I
InChIInChI=1S/C21H36N4O.HI/c1-5-24(6-2)17-19-10-8-18(9-11-19)16-23-21(22-4)25-14-12-20(13-15-25)26-7-3;/h8-11,20H,5-7,12-17H2,1-4H3,(H,22,23);1H
InChIKeyVFIPFPRSFHQPKF-UHFFFAOYSA-N
XLogP3.72
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111959721
4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111959821
2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111959622
4-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958268
4-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 111960731
4-ethoxy-N'-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111959067
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959667
N-[3-(diethylamino)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959725
4-ethoxy-N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]piperidine-1-carboximidamide
CID 111960271
4-ethoxy-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide
CID 111958709
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111960878

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 111958580) is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCc2ccc(CN(CC)CC)cc2)CC1.I.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is VFIPFPRSFHQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O.HI/c1-5-24(6-2)17-19-10-8-18(9-11-19)16-23-21(22-4)25-14-12-20(13-15-25)26-7-3;/h8-11,20H,5-7,12-17H2,1-4H3,(H,22,23);1H.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 488.46 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).