4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide

C21H33IN4O — CID 111958122

IUPAC4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H32N4O.HI/c1-3-22-21(25-16-11-19(12-17-25)26-4-2)23-13-7-14-24-15-10-18-8-5-6-9-20(18)24;/h5-6,8-10,15,19H,3-4,7,11-14,16-17H2,1-2H3,(H,22,23);1H
InChIKeyUYVCFBDLZTVBKR-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.12
Rot. Bonds7

About 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111958122) has the molecular formula C21H33IN4O and a molecular weight of 484.43 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111958122
Molecular FormulaC21H33IN4O
Molecular Weight484.43 g/mol
Exact Mass484.17
IUPAC Name4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCCn1ccc2ccccc21)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H32N4O.HI/c1-3-22-21(25-16-11-19(12-17-25)26-4-2)23-13-7-14-24-15-10-18-8-5-6-9-20(18)24;/h5-6,8-10,15,19H,3-4,7,11-14,16-17H2,1-2H3,(H,22,23);1H
InChIKeyUYVCFBDLZTVBKR-UHFFFAOYSA-N
XLogP4.12
TPSA41.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide
CID 111959403
N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111735707
N'-[3-(2,6-dimethylphenoxy)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958420
4-ethoxy-N-ethyl-N'-[4-(4-phenylpiperazin-1-yl)butyl]piperidine-1-carboximidamide
CID 111959483
4-ethoxy-N-ethyl-N'-[3-(2-fluoro-N-methylanilino)propyl]piperidine-1-carboximidamide
CID 111959631
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
4-ethoxy-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111960894
4-ethoxy-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111958977
N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960246
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158
4-ethoxy-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide
CID 111960895
N-[2-[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]ethyl]benzamide
CID 111958483

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide (CID 111958122) is 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCCn1ccc2ccccc21)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UYVCFBDLZTVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.HI/c1-3-22-21(25-16-11-19(12-17-25)26-4-2)23-13-7-14-24-15-10-18-8-5-6-9-20(18)24;/h5-6,8-10,15,19H,3-4,7,11-14,16-17H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 484.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111958122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).