1-ethyl-2,3-dimethylpiperidin-4-one

C9H17NO — CID 3454234

IUPAC1-ethyl-2,3-dimethylpiperidin-4-one
SMILESCCN1CCC(=O)C(C)C1C
InChIInChI=1S/C9H17NO/c1-4-10-6-5-9(11)7(2)8(10)3/h7-8H,4-6H2,1-3H3
InChIKeyRRUBGQWCJKNSGN-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds1

About 1-ethyl-2,3-dimethylpiperidin-4-one

1-ethyl-2,3-dimethylpiperidin-4-one (PubChem CID 3454234) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-ethyl-2,3-dimethylpiperidin-4-one
PubChem CID3454234
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-ethyl-2,3-dimethylpiperidin-4-one
SMILESCCN1CCC(=O)C(C)C1C
InChIInChI=1S/C9H17NO/c1-4-10-6-5-9(11)7(2)8(10)3/h7-8H,4-6H2,1-3H3
InChIKeyRRUBGQWCJKNSGN-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-ethyl-2,3-dimethylpiperidin-4-one (CID 3454234) is 1-ethyl-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-ethyl-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-ethyl-2,3-dimethylpiperidin-4-one is CCN1CCC(=O)C(C)C1C.
What is the InChIKey of 1-ethyl-2,3-dimethylpiperidin-4-one?
The InChIKey is RRUBGQWCJKNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-10-6-5-9(11)7(2)8(10)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-2,3-dimethylpiperidin-4-one?
1-ethyl-2,3-dimethylpiperidin-4-one has a molecular weight of 155.24 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 3454234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).