2-ethoxy-1-piperidin-1-ylethanone

C9H17NO2 — CID 3593316

IUPAC2-ethoxy-1-piperidin-1-ylethanone
SMILESCCOCC(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-2-12-8-9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyVUEQTCLTKIKUII-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds3

About 2-ethoxy-1-piperidin-1-ylethanone

2-ethoxy-1-piperidin-1-ylethanone (PubChem CID 3593316) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethoxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-ethoxy-1-piperidin-1-ylethanone
PubChem CID3593316
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-ethoxy-1-piperidin-1-ylethanone
SMILESCCOCC(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-2-12-8-9(11)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyVUEQTCLTKIKUII-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-ethoxy-1-piperidin-1-ylethanone (CID 3593316) is 2-ethoxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-ethoxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-ethoxy-1-piperidin-1-ylethanone is CCOCC(=O)N1CCCCC1.
What is the InChIKey of 2-ethoxy-1-piperidin-1-ylethanone?
The InChIKey is VUEQTCLTKIKUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-8-9(11)10-6-4-3-5-7-10/h2-8H2,1H3.
What are the key properties of 2-ethoxy-1-piperidin-1-ylethanone?
2-ethoxy-1-piperidin-1-ylethanone has a molecular weight of 171.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 3593316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).