2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine

C13H28N2O — CID 63163581

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCC1(C)CCN(CCNCCOC)CC1
InChIInChI=1S/C13H28N2O/c1-4-13(2)5-9-15(10-6-13)11-7-14-8-12-16-3/h14H,4-12H2,1-3H3
InChIKeyUMCLPEHCNBHMOW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine

2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 63163581) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID63163581
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCC1(C)CCN(CCNCCOC)CC1
InChIInChI=1S/C13H28N2O/c1-4-13(2)5-9-15(10-6-13)11-7-14-8-12-16-3/h14H,4-12H2,1-3H3
InChIKeyUMCLPEHCNBHMOW-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine (CID 63163581) is 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine is CCC1(C)CCN(CCNCCOC)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is UMCLPEHCNBHMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(2)5-9-15(10-6-13)11-7-14-8-12-16-3/h14H,4-12H2,1-3H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine?
2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 63163581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).