4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide

C17H34N4O — CID 111959859

IUPAC4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCN2CCCC(C)C2)CC1
InChIInChI=1S/C17H34N4O/c1-4-22-16-7-11-21(12-8-16)17(18-3)19-9-13-20-10-5-6-15(2)14-20/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyBMUCGBHSMMBZCY-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.79
Rot. Bonds5

About 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide

4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide (PubChem CID 111959859) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
PubChem CID111959859
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N/C)NCCN2CCCC(C)C2)CC1
InChIInChI=1S/C17H34N4O/c1-4-22-16-7-11-21(12-8-16)17(18-3)19-9-13-20-10-5-6-15(2)14-20/h15-16H,4-14H2,1-3H3,(H,18,19)
InChIKeyBMUCGBHSMMBZCY-UHFFFAOYSA-N
XLogP1.79
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.79
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'}

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Related Compounds

methyl 1-[N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111252969
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960771
4-ethoxy-N'-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 111959067
N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442968
ethyl 1-[N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154957
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
3-(2-methoxyethoxymethyl)-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111748072
N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205979
1,2-dimethyl-3-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]guanidine
CID 124732350
N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743082
N-[3-(diethylamino)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959725
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-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide (CID 111959859) is 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide is CCOC1CCN(/C(=N/C)NCCN2CCCC(C)C2)CC1.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
The InChIKey is BMUCGBHSMMBZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-4-22-16-7-11-21(12-8-16)17(18-3)19-9-13-20-10-5-6-15(2)14-20/h15-16H,4-14H2,1-3H3,(H,18,19).
What are the key properties of 4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide?
4-ethoxy-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide has a molecular weight of 310.49 g/mol, XLogP of 1.79, 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-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111959859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).