N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C20H34IN3O2 — CID 111154491

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1ccc(OC)c(OC)c1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H33N3O2.HI/c1-15-11-16(2)14-23(13-15)20(21-3)22-10-6-7-17-8-9-18(24-4)19(12-17)25-5;/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H,21,22);1H
InChIKeyKNFLEKZILJPHOG-UHFFFAOYSA-N
MW475.42 g/mol
LogP3.81
Rot. Bonds6

About N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111154491) has the molecular formula C20H34IN3O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111154491
Molecular FormulaC20H34IN3O2
Molecular Weight475.42 g/mol
Exact Mass475.17
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1ccc(OC)c(OC)c1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C20H33N3O2.HI/c1-15-11-16(2)14-23(13-15)20(21-3)22-10-6-7-17-8-9-18(24-4)19(12-17)25-5;/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H,21,22);1H
InChIKeyKNFLEKZILJPHOG-UHFFFAOYSA-N
XLogP3.81
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-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

N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738062
N-[(3-fluoro-4-methoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153784
N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111154285
1-butyl-3-[3-(3,4-dimethoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 111151971
1-[3-(3,4-dimethoxyphenyl)propyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225282
(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95086958
N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 48568258
1-cyclohexyl-3-[3-(3,4-dimethoxyphenyl)propyl]-2-methylguanidine;hydroiodide
CID 110957507
1-[3-(3,4-dimethoxyphenyl)propyl]-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111588826
N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154158
N-[2-[(2-methoxyphenyl)methoxy]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 109401264
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111213439

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111154491) is N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCc1ccc(OC)c(OC)c1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is KNFLEKZILJPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.HI/c1-15-11-16(2)14-23(13-15)20(21-3)22-10-6-7-17-8-9-18(24-4)19(12-17)25-5;/h8-9,12,15-16H,6-7,10-11,13-14H2,1-5H3,(H,21,22);1H.
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111154491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).