4-[2-(oxan-4-yloxy)ethoxy]piperidine

C12H23NO3 — CID 58495748

IUPAC4-[2-(oxan-4-yloxy)ethoxy]piperidine
SMILESC1CC(OCCOC2CCOCC2)CCN1
InChIInChI=1S/C12H23NO3/c1-5-13-6-2-11(1)15-9-10-16-12-3-7-14-8-4-12/h11-13H,1-10H2
InChIKeyJFXORKDAIWPDKC-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.95
Rot. Bonds5

About 4-[2-(oxan-4-yloxy)ethoxy]piperidine

4-[2-(oxan-4-yloxy)ethoxy]piperidine (PubChem CID 58495748) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[2-(oxan-4-yloxy)ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-(oxan-4-yloxy)ethoxy]piperidine
PubChem CID58495748
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[2-(oxan-4-yloxy)ethoxy]piperidine
SMILESC1CC(OCCOC2CCOCC2)CCN1
InChIInChI=1S/C12H23NO3/c1-5-13-6-2-11(1)15-9-10-16-12-3-7-14-8-4-12/h11-13H,1-10H2
InChIKeyJFXORKDAIWPDKC-UHFFFAOYSA-N
XLogP0.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.95
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 4-[2-(oxan-4-yloxy)ethoxy]piperidine?
The IUPAC name of 4-[2-(oxan-4-yloxy)ethoxy]piperidine (CID 58495748) is 4-[2-(oxan-4-yloxy)ethoxy]piperidine.
What is the SMILES notation for 4-[2-(oxan-4-yloxy)ethoxy]piperidine?
The canonical SMILES for 4-[2-(oxan-4-yloxy)ethoxy]piperidine is C1CC(OCCOC2CCOCC2)CCN1.
What is the InChIKey of 4-[2-(oxan-4-yloxy)ethoxy]piperidine?
The InChIKey is JFXORKDAIWPDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-13-6-2-11(1)15-9-10-16-12-3-7-14-8-4-12/h11-13H,1-10H2.
What are the key properties of 4-[2-(oxan-4-yloxy)ethoxy]piperidine?
4-[2-(oxan-4-yloxy)ethoxy]piperidine has a molecular weight of 229.32 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-yloxy)ethoxy]piperidine is sourced from PubChem (CID 58495748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).