2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride

C15H18ClNO3 — CID 2729806

IUPAC2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride
SMILESCC1C(=O)C(C)C(c2ccco2)NC1c1ccco1.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12;/h3-10,13-14,16H,1-2H3;1H
InChIKeyCRPWMVLIRHIUFA-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.52
Rot. Bonds2

About 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride

2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride (PubChem CID 2729806) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride
PubChem CID2729806
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride
SMILESCC1C(=O)C(C)C(c2ccco2)NC1c1ccco1.Cl
InChIInChI=1S/C15H17NO3.ClH/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12;/h3-10,13-14,16H,1-2H3;1H
InChIKeyCRPWMVLIRHIUFA-UHFFFAOYSA-N
XLogP3.52
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride?
The IUPAC name of 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride (CID 2729806) is 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride?
The canonical SMILES for 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride is CC1C(=O)C(C)C(c2ccco2)NC1c1ccco1.Cl.
What is the InChIKey of 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride?
The InChIKey is CRPWMVLIRHIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3.ClH/c1-9-13(11-5-3-7-18-11)16-14(10(2)15(9)17)12-6-4-8-19-12;/h3-10,13-14,16H,1-2H3;1H.
What are the key properties of 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride?
2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(furan-2-yl)-3,5-dimethylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 2729806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).