N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C18H30IN3O2 — CID 111154158

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(OC)cc1OC)N1CC(C)CC(C)C1.I
InChIInChI=1S/C18H29N3O2.HI/c1-13-8-14(2)12-21(11-13)18(19-3)20-10-15-6-7-16(22-4)9-17(15)23-5;/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,19,20);1H
InChIKeyGFXDQKKFLGATDK-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.38
Rot. Bonds4

About N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111154158) has the molecular formula C18H30IN3O2 and a molecular weight of 447.36 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111154158
Molecular FormulaC18H30IN3O2
Molecular Weight447.36 g/mol
Exact Mass447.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1ccc(OC)cc1OC)N1CC(C)CC(C)C1.I
InChIInChI=1S/C18H29N3O2.HI/c1-13-8-14(2)12-21(11-13)18(19-3)20-10-15-6-7-16(22-4)9-17(15)23-5;/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,19,20);1H
InChIKeyGFXDQKKFLGATDK-UHFFFAOYSA-N
XLogP3.38
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.38
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

N-[(2,4-dimethoxyphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145307
N-[(2,4-dimethoxyphenyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728140
N-[(3-fluoro-4-methoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153784
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256204
N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111209994
N-[(2,4-dimethoxyphenyl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111168095
N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide
CID 111154285
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111878536
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387431
N-[(2-methoxyphenyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210315

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111154158) is N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1ccc(OC)cc1OC)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GFXDQKKFLGATDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.HI/c1-13-8-14(2)12-21(11-13)18(19-3)20-10-15-6-7-16(22-4)9-17(15)23-5;/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,19,20);1H.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111154158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).