4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine

C18H36N2O — CID 139602228

IUPAC4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine
SMILESCCC1CCN(CCOCCN2CCC(CC)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-3-17-5-9-19(10-6-17)13-15-21-16-14-20-11-7-18(4-2)8-12-20/h17-18H,3-16H2,1-2H3
InChIKeyVFPVAOYCBVXDJG-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.25
Rot. Bonds8

About 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine

4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine (PubChem CID 139602228) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine
PubChem CID139602228
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine
SMILESCCC1CCN(CCOCCN2CCC(CC)CC2)CC1
InChIInChI=1S/C18H36N2O/c1-3-17-5-9-19(10-6-17)13-15-21-16-14-20-11-7-18(4-2)8-12-20/h17-18H,3-16H2,1-2H3
InChIKeyVFPVAOYCBVXDJG-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
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 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The IUPAC name of 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine (CID 139602228) is 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The canonical SMILES for 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine is CCC1CCN(CCOCCN2CCC(CC)CC2)CC1.
What is the InChIKey of 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
The InChIKey is VFPVAOYCBVXDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-17-5-9-19(10-6-17)13-15-21-16-14-20-11-7-18(4-2)8-12-20/h17-18H,3-16H2,1-2H3.
What are the key properties of 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine?
4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine has a molecular weight of 296.50 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]piperidine is sourced from PubChem (CID 139602228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).