1-(2-methoxyethyl)piperidin-4-one

C8H15NO2 — CID 24710264

IUPAC1-(2-methoxyethyl)piperidin-4-one
SMILESCOCCN1CCC(=O)CC1
InChIInChI=1S/C8H15NO2/c1-11-7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3
InChIKeyTZBGCFOBLIWBSM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.30
Rot. Bonds3

About 1-(2-methoxyethyl)piperidin-4-one

1-(2-methoxyethyl)piperidin-4-one (PubChem CID 24710264) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2-methoxyethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)piperidin-4-one
PubChem CID24710264
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2-methoxyethyl)piperidin-4-one
SMILESCOCCN1CCC(=O)CC1
InChIInChI=1S/C8H15NO2/c1-11-7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3
InChIKeyTZBGCFOBLIWBSM-UHFFFAOYSA-N
XLogP0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)piperidin-4-one?
The IUPAC name of 1-(2-methoxyethyl)piperidin-4-one (CID 24710264) is 1-(2-methoxyethyl)piperidin-4-one.
What is the SMILES notation for 1-(2-methoxyethyl)piperidin-4-one?
The canonical SMILES for 1-(2-methoxyethyl)piperidin-4-one is COCCN1CCC(=O)CC1.
What is the InChIKey of 1-(2-methoxyethyl)piperidin-4-one?
The InChIKey is TZBGCFOBLIWBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-7-6-9-4-2-8(10)3-5-9/h2-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)piperidin-4-one?
1-(2-methoxyethyl)piperidin-4-one has a molecular weight of 157.21 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)piperidin-4-one is sourced from PubChem (CID 24710264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).