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

C9H17NO2 — CID 15410842

IUPAC1-(2-ethoxyethyl)piperidin-4-one
SMILESCCOCCN1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-2-12-8-7-10-5-3-9(11)4-6-10/h2-8H2,1H3
InChIKeyFUJINXDLPBSOGS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.69
Rot. Bonds4

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

1-(2-ethoxyethyl)piperidin-4-one (PubChem CID 15410842) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)piperidin-4-one
PubChem CID15410842
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(2-ethoxyethyl)piperidin-4-one
SMILESCCOCCN1CCC(=O)CC1
InChIInChI=1S/C9H17NO2/c1-2-12-8-7-10-5-3-9(11)4-6-10/h2-8H2,1H3
InChIKeyFUJINXDLPBSOGS-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)piperidin-4-one?
The IUPAC name of 1-(2-ethoxyethyl)piperidin-4-one (CID 15410842) is 1-(2-ethoxyethyl)piperidin-4-one.
What is the SMILES notation for 1-(2-ethoxyethyl)piperidin-4-one?
The canonical SMILES for 1-(2-ethoxyethyl)piperidin-4-one is CCOCCN1CCC(=O)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)piperidin-4-one?
The InChIKey is FUJINXDLPBSOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-8-7-10-5-3-9(11)4-6-10/h2-8H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)piperidin-4-one?
1-(2-ethoxyethyl)piperidin-4-one has a molecular weight of 171.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)piperidin-4-one is sourced from PubChem (CID 15410842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).