4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide

C17H29IN4O — CID 111959018

IUPAC4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccnc1)N1CCC(OCC)CC1.I
InChIInChI=1S/C17H28N4O.HI/c1-3-19-17(20-11-7-15-6-5-10-18-14-15)21-12-8-16(9-13-21)22-4-2;/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3,(H,19,20);1H
InChIKeyQREQBPRKPOMCIL-UHFFFAOYSA-N
MW432.35 g/mol
LogP2.71
Rot. Bonds6

About 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111959018) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111959018
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC Name4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccnc1)N1CCC(OCC)CC1.I
InChIInChI=1S/C17H28N4O.HI/c1-3-19-17(20-11-7-15-6-5-10-18-14-15)21-12-8-16(9-13-21)22-4-2;/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3,(H,19,20);1H
InChIKeyQREQBPRKPOMCIL-UHFFFAOYSA-N
XLogP2.71
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.71
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

4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959434
N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959364
N-ethyl-N'-(2-pyridin-3-ylethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444298
N-ethyl-4-(oxolane-2-carbonyl)-N'-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111302930
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111959163
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
N-ethyl-4-(furan-2-carbonyl)-N'-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide
CID 111167753
4-ethoxy-N'-[(3-ethoxyphenyl)methyl]-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958734
4-ethoxy-N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958119
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158
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-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide (CID 111959018) is 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cccnc1)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is QREQBPRKPOMCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-3-19-17(20-11-7-15-6-5-10-18-14-15)21-12-8-16(9-13-21)22-4-2;/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3,(H,19,20);1H.
What are the key properties of 4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 2.71, 6 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'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).