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

C22H44N2O5 — CID 44592903

IUPAC1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine
SMILESCCOCCOCCOCCOCCOCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C22H44N2O5/c1-2-25-13-14-27-17-18-29-20-19-28-16-15-26-12-11-24-9-5-22(6-10-24)21-3-7-23-8-4-21/h21-23H,2-20H2,1H3
InChIKeyKNMBPPREJVXYGY-UHFFFAOYSA-N
MW416.60 g/mol
LogP1.80
Rot. Bonds17

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

1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine (PubChem CID 44592903) has the molecular formula C22H44N2O5 and a molecular weight of 416.60 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine
PubChem CID44592903
Molecular FormulaC22H44N2O5
Molecular Weight416.60 g/mol
Exact Mass416.33
IUPAC Name1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine
SMILESCCOCCOCCOCCOCCOCCN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C22H44N2O5/c1-2-25-13-14-27-17-18-29-20-19-28-16-15-26-12-11-24-9-5-22(6-10-24)21-3-7-23-8-4-21/h21-23H,2-20H2,1H3
InChIKeyKNMBPPREJVXYGY-UHFFFAOYSA-N
XLogP1.80
TPSA61.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine (CID 44592903) is 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine is CCOCCOCCOCCOCCOCCN1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
The InChIKey is KNMBPPREJVXYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O5/c1-2-25-13-14-27-17-18-29-20-19-28-16-15-26-12-11-24-9-5-22(6-10-24)21-3-7-23-8-4-21/h21-23H,2-20H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine?
1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine has a molecular weight of 416.60 g/mol, XLogP of 1.80, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 44592903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).