4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one

C12H19NO2 — CID 13497372

IUPAC4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one
SMILESCC1=CC(=O)OC1(C)CN1CCCCC1
InChIInChI=1S/C12H19NO2/c1-10-8-11(14)15-12(10,2)9-13-6-4-3-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyUUKOTPYVEHCTOA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.73
Rot. Bonds2

About 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one

4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one (PubChem CID 13497372) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one.

Molecular Properties

Compound Name4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one
PubChem CID13497372
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one
SMILESCC1=CC(=O)OC1(C)CN1CCCCC1
InChIInChI=1S/C12H19NO2/c1-10-8-11(14)15-12(10,2)9-13-6-4-3-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyUUKOTPYVEHCTOA-UHFFFAOYSA-N
XLogP1.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one?
The IUPAC name of 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one (CID 13497372) is 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one.
What is the SMILES notation for 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one?
The canonical SMILES for 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one is CC1=CC(=O)OC1(C)CN1CCCCC1.
What is the InChIKey of 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one?
The InChIKey is UUKOTPYVEHCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-8-11(14)15-12(10,2)9-13-6-4-3-5-7-13/h8H,3-7,9H2,1-2H3.
What are the key properties of 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one?
4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-5-(piperidin-1-ylmethyl)furan-2-one is sourced from PubChem (CID 13497372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).