(2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine

C15H19NO2 — CID 102160934

IUPAC(2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)[C@H](c2ccco2)N[C@@H]1c1ccco1
InChIInChI=1S/C15H19NO2/c1-10-9-11(2)15(13-6-4-8-18-13)16-14(10)12-5-3-7-17-12/h3-8,10-11,14-16H,9H2,1-2H3/t10-,11-,14-,15+/m0/s1
InChIKeyAAQQOJGZLUPYMM-LWWSYDQCSA-N
MW245.32 g/mol
LogP3.92
Rot. Bonds2

About (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine

(2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine (PubChem CID 102160934) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine
PubChem CID102160934
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)[C@H](c2ccco2)N[C@@H]1c1ccco1
InChIInChI=1S/C15H19NO2/c1-10-9-11(2)15(13-6-4-8-18-13)16-14(10)12-5-3-7-17-12/h3-8,10-11,14-16H,9H2,1-2H3/t10-,11-,14-,15+/m0/s1
InChIKeyAAQQOJGZLUPYMM-LWWSYDQCSA-N
XLogP3.92
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine?
The IUPAC name of (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine (CID 102160934) is (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine.
What is the SMILES notation for (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine?
The canonical SMILES for (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine is C[C@H]1C[C@H](C)[C@H](c2ccco2)N[C@@H]1c1ccco1.
What is the InChIKey of (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine?
The InChIKey is AAQQOJGZLUPYMM-LWWSYDQCSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-9-11(2)15(13-6-4-8-18-13)16-14(10)12-5-3-7-17-12/h3-8,10-11,14-16H,9H2,1-2H3/t10-,11-,14-,15+/m0/s1.
What are the key properties of (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine?
(2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine has a molecular weight of 245.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6R)-2,6-bis(furan-2-yl)-3,5-dimethylpiperidine is sourced from PubChem (CID 102160934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).