N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

C21H37IN4O2 — CID 111144981

IUPACN'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(OC)c(OC)c1)N(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C21H36N4O2.HI/c1-7-22-21(25-12-8-9-16(2)15-25)23-14-18(24(3)4)17-10-11-19(26-5)20(13-17)27-6;/h10-11,13,16,18H,7-9,12,14-15H2,1-6H3,(H,22,23);1H
InChIKeyVISKTGHPRUZKMU-UHFFFAOYSA-N
MW504.46 g/mol
LogP3.62
Rot. Bonds7

About N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111144981) has the molecular formula C21H37IN4O2 and a molecular weight of 504.46 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111144981
Molecular FormulaC21H37IN4O2
Molecular Weight504.46 g/mol
Exact Mass504.20
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccc(OC)c(OC)c1)N(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C21H36N4O2.HI/c1-7-22-21(25-12-8-9-16(2)15-25)23-14-18(24(3)4)17-10-11-19(26-5)20(13-17)27-6;/h10-11,13,16,18H,7-9,12,14-15H2,1-6H3,(H,22,23);1H
InChIKeyVISKTGHPRUZKMU-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111252647
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144799
N'-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111980029
N-ethyl-N'-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111144800
N-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143913
N-ethyl-N'-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144487
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-methylcyclopropyl)guanidine
CID 111963483
methyl 5-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111145941
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111138456
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189618
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-prop-2-enylguanidine
CID 110981899
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]guanidine
CID 110884502

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111144981) is N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(c1ccc(OC)c(OC)c1)N(C)C)N1CCCC(C)C1.I.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is VISKTGHPRUZKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2.HI/c1-7-22-21(25-12-8-9-16(2)15-25)23-14-18(24(3)4)17-10-11-19(26-5)20(13-17)27-6;/h10-11,13,16,18H,7-9,12,14-15H2,1-6H3,(H,22,23);1H.
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 504.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111144981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).