N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide

C20H33N3O3 — CID 111154285

IUPACN',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCc1ccc(OC)c(OC)c1OC)N1CC(C)CC(C)C1
InChIInChI=1S/C20H33N3O3/c1-14-11-15(2)13-23(12-14)20(21-3)22-10-9-16-7-8-17(24-4)19(26-6)18(16)25-5/h7-8,14-15H,9-13H2,1-6H3,(H,21,22)
InChIKeyVIXFOUQYFUUFIL-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.81
Rot. Bonds6

About N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide

N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide (PubChem CID 111154285) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide
PubChem CID111154285
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC NameN',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCCc1ccc(OC)c(OC)c1OC)N1CC(C)CC(C)C1
InChIInChI=1S/C20H33N3O3/c1-14-11-15(2)13-23(12-14)20(21-3)22-10-9-16-7-8-17(24-4)19(26-6)18(16)25-5/h7-8,14-15H,9-13H2,1-6H3,(H,21,22)
InChIKeyVIXFOUQYFUUFIL-UHFFFAOYSA-N
XLogP2.81
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.81
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'}

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Related Compounds

N'-methyl-3-pentan-3-yl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111743750
methyl 1-[N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111252923
4-(2-methoxyphenyl)-N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111133606
6,7-dimethoxy-N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269024
4-(4-fluorophenyl)-N'-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111165722
N-[3-(3,4-dimethoxyphenyl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154491
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
2-methyl-1-(3-methylbutyl)-3-[2-(2,3,4-trimethoxyphenyl)ethyl]guanidine
CID 110977133
N-[2-(2-methoxyphenyl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111212120
N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153494
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144681

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide (CID 111154285) is N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide is C/N=C(/NCCc1ccc(OC)c(OC)c1OC)N1CC(C)CC(C)C1.
What is the InChIKey of N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide?
The InChIKey is VIXFOUQYFUUFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-14-11-15(2)13-23(12-14)20(21-3)22-10-9-16-7-8-17(24-4)19(26-6)18(16)25-5/h7-8,14-15H,9-13H2,1-6H3,(H,21,22).
What are the key properties of N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide?
N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide has a molecular weight of 363.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111154285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).