4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide

C20H34IN3O2 — CID 111959266

IUPAC4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCC(C)(C)c2ccc(OC)cc2)CC1.I
InChIInChI=1S/C20H33N3O2.HI/c1-6-25-18-11-13-23(14-12-18)19(21-4)22-15-20(2,3)16-7-9-17(24-5)10-8-16;/h7-10,18H,6,11-15H2,1-5H3,(H,21,22);1H
InChIKeyQLXZICUHPANBKN-UHFFFAOYSA-N
MW475.42 g/mol
LogP3.67
Rot. Bonds6

About 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111959266) has the molecular formula C20H34IN3O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111959266
Molecular FormulaC20H34IN3O2
Molecular Weight475.42 g/mol
Exact Mass475.17
IUPAC Name4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCC(C)(C)c2ccc(OC)cc2)CC1.I
InChIInChI=1S/C20H33N3O2.HI/c1-6-25-18-11-13-23(14-12-18)19(21-4)22-15-20(2,3)16-7-9-17(24-5)10-8-16;/h7-10,18H,6,11-15H2,1-5H3,(H,21,22);1H
InChIKeyQLXZICUHPANBKN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-chlorophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958776
N-[2-(3-bromophenyl)-2-methylpropyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960356
4-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 111960731
2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111959622
4-ethoxy-N-[3-[(4-methoxyphenyl)methoxy]propyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959684
N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300816
tert-butyl N-[1-[N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730895
1-(cyclopropylmethyl)-3-[2-(4-methoxyphenyl)-2-methylpropyl]-2-methylguanidine
CID 111868638
4-ethoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111960864
ethyl 1-[N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156458
4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958732
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 111959266) is 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N\C)NCC(C)(C)c2ccc(OC)cc2)CC1.I.
What is the InChIKey of 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is QLXZICUHPANBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.HI/c1-6-25-18-11-13-23(14-12-18)19(21-4)22-15-20(2,3)16-7-9-17(24-5)10-8-16;/h7-10,18H,6,11-15H2,1-5H3,(H,21,22);1H.
What are the key properties of 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 475.42 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).