1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine

C18H36N2O3 — CID 44592886

IUPAC1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine
SMILESCCOCCOCCOCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C18H36N2O3/c1-2-21-13-14-23-16-15-22-12-11-20-9-5-18(6-10-20)17-3-7-19-8-4-17/h17-19H,2-16H2,1H3
InChIKeyRMJJKTIFTWYYFG-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.77
Rot. Bonds11

About 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine (PubChem CID 44592886) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine
PubChem CID44592886
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine
SMILESCCOCCOCCOCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C18H36N2O3/c1-2-21-13-14-23-16-15-22-12-11-20-9-5-18(6-10-20)17-3-7-19-8-4-17/h17-19H,2-16H2,1H3
InChIKeyRMJJKTIFTWYYFG-UHFFFAOYSA-N
XLogP1.77
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine (CID 44592886) is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine is CCOCCOCCOCCN1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
The InChIKey is RMJJKTIFTWYYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-2-21-13-14-23-16-15-22-12-11-20-9-5-18(6-10-20)17-3-7-19-8-4-17/h17-19H,2-16H2,1H3.
What are the key properties of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine has a molecular weight of 328.50 g/mol, XLogP of 1.77, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 44592886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).