6-ethylpiperidin-2-one

C7H13NO — CID 15889348

IUPAC6-ethylpiperidin-2-one
SMILESCCC1CCCC(=O)N1
InChIInChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyPAHMYIHLZQRVHU-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds1

About 6-ethylpiperidin-2-one

6-ethylpiperidin-2-one (PubChem CID 15889348) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 6-ethylpiperidin-2-one.

Molecular Properties

Compound Name6-ethylpiperidin-2-one
PubChem CID15889348
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name6-ethylpiperidin-2-one
SMILESCCC1CCCC(=O)N1
InChIInChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyPAHMYIHLZQRVHU-UHFFFAOYSA-N
XLogP1.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethylpiperidin-2-one?
The IUPAC name of 6-ethylpiperidin-2-one (CID 15889348) is 6-ethylpiperidin-2-one.
What is the SMILES notation for 6-ethylpiperidin-2-one?
The canonical SMILES for 6-ethylpiperidin-2-one is CCC1CCCC(=O)N1.
What is the InChIKey of 6-ethylpiperidin-2-one?
The InChIKey is PAHMYIHLZQRVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-4-3-5-7(9)8-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 6-ethylpiperidin-2-one?
6-ethylpiperidin-2-one has a molecular weight of 127.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylpiperidin-2-one is sourced from PubChem (CID 15889348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).