(2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol

C15H19NO3 — CID 134834410

IUPAC(2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1C(O)[C@H](C)[C@@H](c2ccco2)N[C@H]1c1ccco1
InChIInChI=1S/C15H19NO3/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12/h3-10,13-17H,1-2H3/t9-,10+,13+,14-,15?
InChIKeyFMJIBFXOWYNRGJ-XKWPVJITSA-N
MW261.32 g/mol
LogP2.89
Rot. Bonds2

About (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol

(2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol (PubChem CID 134834410) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol
PubChem CID134834410
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol
SMILESC[C@@H]1C(O)[C@H](C)[C@@H](c2ccco2)N[C@H]1c1ccco1
InChIInChI=1S/C15H19NO3/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12/h3-10,13-17H,1-2H3/t9-,10+,13+,14-,15?
InChIKeyFMJIBFXOWYNRGJ-XKWPVJITSA-N
XLogP2.89
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol?
The IUPAC name of (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol (CID 134834410) is (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol.
What is the SMILES notation for (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol?
The canonical SMILES for (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol is C[C@@H]1C(O)[C@H](C)[C@@H](c2ccco2)N[C@H]1c1ccco1.
What is the InChIKey of (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol?
The InChIKey is FMJIBFXOWYNRGJ-XKWPVJITSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12/h3-10,13-17H,1-2H3/t9-,10+,13+,14-,15?.
What are the key properties of (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol?
(2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol has a molecular weight of 261.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 134834410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).