4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide

C20H34IN3O — CID 111958732

IUPAC4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccccc1)N1CCC(OCC)CC1.I
InChIInChI=1S/C20H33N3O.HI/c1-5-21-19(23-14-12-18(13-15-23)24-6-2)22-16-20(3,4)17-10-8-7-9-11-17;/h7-11,18H,5-6,12-16H2,1-4H3,(H,21,22);1H
InChIKeyTVFHTESELGCLCS-UHFFFAOYSA-N
MW459.42 g/mol
LogP4.05
Rot. Bonds6

About 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111958732) has the molecular formula C20H34IN3O and a molecular weight of 459.42 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111958732
Molecular FormulaC20H34IN3O
Molecular Weight459.42 g/mol
Exact Mass459.17
IUPAC Name4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(C)(C)c1ccccc1)N1CCC(OCC)CC1.I
InChIInChI=1S/C20H33N3O.HI/c1-5-21-19(23-14-12-18(13-15-23)24-6-2)22-16-20(3,4)17-10-8-7-9-11-17;/h7-11,18H,5-6,12-16H2,1-4H3,(H,21,22);1H
InChIKeyTVFHTESELGCLCS-UHFFFAOYSA-N
XLogP4.05
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 54.05
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-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111960236
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N'-[(2-cyclopentyloxyphenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960196
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
CID 111958483
N'-[2-(dimethylamino)-3-phenylpropyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959764
4-ethoxy-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111960507
4-ethoxy-N-ethyl-N'-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111958140
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
(3R)-N-ethyl-3-hydroxy-N'-[2-(4-methoxyphenyl)-2-methylpropyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111551235
N'-[(3-cyanophenyl)methyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959458
N'-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958134

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111958732) is 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(C)(C)c1ccccc1)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is TVFHTESELGCLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O.HI/c1-5-21-19(23-14-12-18(13-15-23)24-6-2)22-16-20(3,4)17-10-8-7-9-11-17;/h7-11,18H,5-6,12-16H2,1-4H3,(H,21,22);1H.
What are the key properties of 4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-ethyl-N'-(2-methyl-2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 459.42 g/mol, XLogP of 4.05, 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-phenylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).