1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one

C11H21NO2 — CID 117025155

IUPAC1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one
SMILESCOCCCN1CCC(C)(C)C(=O)C1
InChIInChI=1S/C11H21NO2/c1-11(2)5-7-12(9-10(11)13)6-4-8-14-3/h4-9H2,1-3H3
InChIKeyIDPLGQLKQDUWBT-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.32
Rot. Bonds4

About 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one

1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one (PubChem CID 117025155) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one
PubChem CID117025155
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one
SMILESCOCCCN1CCC(C)(C)C(=O)C1
InChIInChI=1S/C11H21NO2/c1-11(2)5-7-12(9-10(11)13)6-4-8-14-3/h4-9H2,1-3H3
InChIKeyIDPLGQLKQDUWBT-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.32
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-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one?
The IUPAC name of 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one (CID 117025155) is 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one?
The canonical SMILES for 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one is COCCCN1CCC(C)(C)C(=O)C1.
What is the InChIKey of 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one?
The InChIKey is IDPLGQLKQDUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2)5-7-12(9-10(11)13)6-4-8-14-3/h4-9H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one?
1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one has a molecular weight of 199.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one is sourced from PubChem (CID 117025155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).