N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

C18H30IN3O — CID 111958624

IUPACN-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(C)cc2C)CC1.I
InChIInChI=1S/C18H29N3O.HI/c1-5-22-17-8-10-21(11-9-17)18(19-4)20-13-16-7-6-14(2)12-15(16)3;/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,19,20);1H
InChIKeyOLJBWXDJRWIHTM-UHFFFAOYSA-N
MW431.36 g/mol
LogP3.50
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111958624) has the molecular formula C18H30IN3O and a molecular weight of 431.36 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111958624
Molecular FormulaC18H30IN3O
Molecular Weight431.36 g/mol
Exact Mass431.14
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(C)cc2C)CC1.I
InChIInChI=1S/C18H29N3O.HI/c1-5-22-17-8-10-21(11-9-17)18(19-4)20-13-16-7-6-14(2)12-15(16)3;/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,19,20);1H
InChIKeyOLJBWXDJRWIHTM-UHFFFAOYSA-N
XLogP3.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 53.50
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

4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958210
4-ethoxy-N-[(2-ethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960028
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580
4-ethoxy-N'-methyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboximidamide
CID 111959903
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958409
4-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958268
4-ethoxy-N'-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111959548
N-[(2,4-dimethylphenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301124
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-3-methylbenzamide
CID 111959723
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958398
4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
4-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 111960731

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 111958624) is N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N\C)NCc2ccc(C)cc2C)CC1.I.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is OLJBWXDJRWIHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.HI/c1-5-22-17-8-10-21(11-9-17)18(19-4)20-13-16-7-6-14(2)12-15(16)3;/h6-7,12,17H,5,8-11,13H2,1-4H3,(H,19,20);1H.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 431.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).