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

C16H27IN4O — CID 111959434

IUPAC4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCCc2cccnc2)CC1.I
InChIInChI=1S/C16H26N4O.HI/c1-3-21-15-7-11-20(12-8-15)16(17-2)19-10-6-14-5-4-9-18-13-14;/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3,(H,17,19);1H
InChIKeyRVLVOZRJRNFWDO-UHFFFAOYSA-N
MW418.32 g/mol
LogP2.32
Rot. Bonds5

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

4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 111959434) has the molecular formula C16H27IN4O and a molecular weight of 418.32 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID111959434
Molecular FormulaC16H27IN4O
Molecular Weight418.32 g/mol
Exact Mass418.12
IUPAC Name4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCCc2cccnc2)CC1.I
InChIInChI=1S/C16H26N4O.HI/c1-3-21-15-7-11-20(12-8-15)16(17-2)19-10-6-14-5-4-9-18-13-14;/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3,(H,17,19);1H
InChIKeyRVLVOZRJRNFWDO-UHFFFAOYSA-N
XLogP2.32
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.32
LogP ≤ 52.32
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',4-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111211399
4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959018
N-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960053
4-ethoxy-N'-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960514
N',3-dimethyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide
CID 111145936
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
4-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958496
4-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111958497
4-ethoxy-N-[2-(5-iodothiophen-2-yl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959310
N'-methyl-N-(2-pyridin-3-ylethyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378113
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide (CID 111959434) is 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCCc2cccnc2)CC1.I.
What is the InChIKey of 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is RVLVOZRJRNFWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.HI/c1-3-21-15-7-11-20(12-8-15)16(17-2)19-10-6-14-5-4-9-18-13-14;/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3,(H,17,19);1H.
What are the key properties of 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 418.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).