4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide

C21H36IN3O — CID 111960236

IUPAC4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccccc1C)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H35N3O.HI/c1-6-22-20(24-14-12-18(13-15-24)25-7-2)23-16-21(4,5)19-11-9-8-10-17(19)3;/h8-11,18H,6-7,12-16H2,1-5H3,(H,22,23);1H
InChIKeyMQVIKWXTGFYRNP-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.36
Rot. Bonds6

About 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111960236) has the molecular formula C21H36IN3O and a molecular weight of 473.44 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111960236
Molecular FormulaC21H36IN3O
Molecular Weight473.44 g/mol
Exact Mass473.19
IUPAC Name4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccccc1C)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H35N3O.HI/c1-6-22-20(24-14-12-18(13-15-24)25-7-2)23-16-21(4,5)19-11-9-8-10-17(19)3;/h8-11,18H,6-7,12-16H2,1-5H3,(H,22,23);1H
InChIKeyMQVIKWXTGFYRNP-UHFFFAOYSA-N
XLogP4.36
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958732
N'-[3-(2,6-dimethylphenoxy)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958420
N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111742872
methyl 1-[N'-[2-(2-chlorophenyl)-2-methylpropyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253692
N'-[(2-cyclopentyloxyphenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960196
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958134
4-ethoxy-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111960507
4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960334
4-ethoxy-N-ethyl-N'-[(6-methyl-2-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111959845
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959786
N'-[(3-bromophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959518

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111960236) is 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)(C)c1ccccc1C)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MQVIKWXTGFYRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O.HI/c1-6-22-20(24-14-12-18(13-15-24)25-7-2)23-16-21(4,5)19-11-9-8-10-17(19)3;/h8-11,18H,6-7,12-16H2,1-5H3,(H,22,23);1H.
What are the key properties of 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 473.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).