2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one

C13H21NO2 — CID 23264948

IUPAC2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one
SMILESCC1(C)OC(CCN2CCCCC2)=CC1=O
InChIInChI=1S/C13H21NO2/c1-13(2)12(15)10-11(16-13)6-9-14-7-4-3-5-8-14/h10H,3-9H2,1-2H3
InChIKeySINZOBRJQDLENX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds3

About 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one

2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one (PubChem CID 23264948) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one
PubChem CID23264948
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one
SMILESCC1(C)OC(CCN2CCCCC2)=CC1=O
InChIInChI=1S/C13H21NO2/c1-13(2)12(15)10-11(16-13)6-9-14-7-4-3-5-8-14/h10H,3-9H2,1-2H3
InChIKeySINZOBRJQDLENX-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one?
The IUPAC name of 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one (CID 23264948) is 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one.
What is the SMILES notation for 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one?
The canonical SMILES for 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one is CC1(C)OC(CCN2CCCCC2)=CC1=O.
What is the InChIKey of 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one?
The InChIKey is SINZOBRJQDLENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2)12(15)10-11(16-13)6-9-14-7-4-3-5-8-14/h10H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one?
2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one has a molecular weight of 223.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-piperidin-1-ylethyl)furan-3-one is sourced from PubChem (CID 23264948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).