1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine

C13H28N2O2 — CID 79407787

IUPAC1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(CCOCCOC)C(C)C1C
InChIInChI=1S/C13H28N2O2/c1-11-12(2)15(6-5-13(11)14-3)7-8-17-10-9-16-4/h11-14H,5-10H2,1-4H3
InChIKeyGAPIHYIDJDHMOM-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.97
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine

1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine (PubChem CID 79407787) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine
PubChem CID79407787
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine
SMILESCNC1CCN(CCOCCOC)C(C)C1C
InChIInChI=1S/C13H28N2O2/c1-11-12(2)15(6-5-13(11)14-3)7-8-17-10-9-16-4/h11-14H,5-10H2,1-4H3
InChIKeyGAPIHYIDJDHMOM-UHFFFAOYSA-N
XLogP0.97
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine (CID 79407787) is 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine is CNC1CCN(CCOCCOC)C(C)C1C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine?
The InChIKey is GAPIHYIDJDHMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11-12(2)15(6-5-13(11)14-3)7-8-17-10-9-16-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine?
1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine has a molecular weight of 244.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-N,2,3-trimethylpiperidin-4-amine is sourced from PubChem (CID 79407787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).