4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine

C14H25NO5 — CID 66990422

IUPAC4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine
SMILESCO[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCCOC1CCNCC1
InChIInChI=1S/C14H25NO5/c1-16-11-8-19-14-12(9-20-13(11)14)18-7-6-17-10-2-4-15-5-3-10/h10-15H,2-9H2,1H3/t11-,12-,13+,14-/m1/s1
InChIKeyIUUJATJKZPMIBV-YIYPIFLZSA-N
MW287.36 g/mol
LogP-0.05
Rot. Bonds6

About 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine

4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine (PubChem CID 66990422) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine.

Molecular Properties

Compound Name4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine
PubChem CID66990422
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine
SMILESCO[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCCOC1CCNCC1
InChIInChI=1S/C14H25NO5/c1-16-11-8-19-14-12(9-20-13(11)14)18-7-6-17-10-2-4-15-5-3-10/h10-15H,2-9H2,1H3/t11-,12-,13+,14-/m1/s1
InChIKeyIUUJATJKZPMIBV-YIYPIFLZSA-N
XLogP-0.05
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine?
The IUPAC name of 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine (CID 66990422) is 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine.
What is the SMILES notation for 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine?
The canonical SMILES for 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine is CO[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCCOC1CCNCC1.
What is the InChIKey of 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine?
The InChIKey is IUUJATJKZPMIBV-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H25NO5/c1-16-11-8-19-14-12(9-20-13(11)14)18-7-6-17-10-2-4-15-5-3-10/h10-15H,2-9H2,1H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine?
4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine has a molecular weight of 287.36 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(3R,3aS,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]piperidine is sourced from PubChem (CID 66990422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).