2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one

C13H19NO3 — CID 82064668

IUPAC2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCN1CCCCC1
InChIInChI=1S/C13H19NO3/c1-11-13(12(15)5-9-16-11)17-10-8-14-6-3-2-4-7-14/h5,9H,2-4,6-8,10H2,1H3
InChIKeyZHTFDXCVJKIRAM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds4

About 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one

2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one (PubChem CID 82064668) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one
PubChem CID82064668
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCCN1CCCCC1
InChIInChI=1S/C13H19NO3/c1-11-13(12(15)5-9-16-11)17-10-8-14-6-3-2-4-7-14/h5,9H,2-4,6-8,10H2,1H3
InChIKeyZHTFDXCVJKIRAM-UHFFFAOYSA-N
XLogP1.81
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one (CID 82064668) is 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one is Cc1occc(=O)c1OCCN1CCCCC1.
What is the InChIKey of 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one?
The InChIKey is ZHTFDXCVJKIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-11-13(12(15)5-9-16-11)17-10-8-14-6-3-2-4-7-14/h5,9H,2-4,6-8,10H2,1H3.
What are the key properties of 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one?
2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one has a molecular weight of 237.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperidin-1-ylethoxy)pyran-4-one is sourced from PubChem (CID 82064668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).