(3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C11H19NO4 — CID 71077818

IUPAC(3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC1CCNCC1
InChIInChI=1S/C11H19NO4/c13-8-5-14-11-9(6-15-10(8)11)16-7-1-3-12-4-2-7/h7-13H,1-6H2/t8-,9+,10-,11-/m1/s1
InChIKeyYSLCAIOIBRAMPS-LMLFDSFASA-N
MW229.28 g/mol
LogP-0.72
Rot. Bonds2

About (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 71077818) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID71077818
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC1CCNCC1
InChIInChI=1S/C11H19NO4/c13-8-5-14-11-9(6-15-10(8)11)16-7-1-3-12-4-2-7/h7-13H,1-6H2/t8-,9+,10-,11-/m1/s1
InChIKeyYSLCAIOIBRAMPS-LMLFDSFASA-N
XLogP-0.72
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 71077818) is (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC1CCNCC1.
What is the InChIKey of (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is YSLCAIOIBRAMPS-LMLFDSFASA-N. The full InChI is InChI=1S/C11H19NO4/c13-8-5-14-11-9(6-15-10(8)11)16-7-1-3-12-4-2-7/h7-13H,1-6H2/t8-,9+,10-,11-/m1/s1.
What are the key properties of (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 229.28 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aR)-6-piperidin-4-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 71077818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).