2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one

C13H23NO2 — CID 114468047

IUPAC2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one
SMILESC=C(C)COCCN1CCC(=O)C(C)C1C
InChIInChI=1S/C13H23NO2/c1-10(2)9-16-8-7-14-6-5-13(15)11(3)12(14)4/h11-12H,1,5-9H2,2-4H3
InChIKeyYUEWWMYJOGEQSM-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.88
Rot. Bonds5

About 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one

2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one (PubChem CID 114468047) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one
PubChem CID114468047
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one
SMILESC=C(C)COCCN1CCC(=O)C(C)C1C
InChIInChI=1S/C13H23NO2/c1-10(2)9-16-8-7-14-6-5-13(15)11(3)12(14)4/h11-12H,1,5-9H2,2-4H3
InChIKeyYUEWWMYJOGEQSM-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one (CID 114468047) is 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one is C=C(C)COCCN1CCC(=O)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one?
The InChIKey is YUEWWMYJOGEQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)9-16-8-7-14-6-5-13(15)11(3)12(14)4/h11-12H,1,5-9H2,2-4H3.
What are the key properties of 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one?
2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one is sourced from PubChem (CID 114468047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).