1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one

C10H19NO2 — CID 117025154

IUPAC1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one
SMILESCOCCN1CCC(C)(C)C(=O)C1
InChIInChI=1S/C10H19NO2/c1-10(2)4-5-11(6-7-13-3)8-9(10)12/h4-8H2,1-3H3
InChIKeyYLZDYHUXUIIZHW-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one

1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one (PubChem CID 117025154) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one
PubChem CID117025154
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one
SMILESCOCCN1CCC(C)(C)C(=O)C1
InChIInChI=1S/C10H19NO2/c1-10(2)4-5-11(6-7-13-3)8-9(10)12/h4-8H2,1-3H3
InChIKeyYLZDYHUXUIIZHW-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropyl)-4,4-dimethylpiperidin-3-one
CID 117025155
ethane;1-(2-methoxyethyl)-4,4-dimethylpiperidine
CID 144858617
ethane;1-(2-methoxyethyl)-3,3-dimethylpyrrolidine
CID 142009512
8-(2,6-dimethyl-4-pyridinyl)-2-(2-methoxyethyl)-5,5-dimethyl-3,4-dihydro-1H-2-benzazepine
CID 162731168
1-(2-methoxyethyl)-4,4-di(propan-2-yl)piperidine
CID 21069094
4-(2-methoxyethyl)morpholine-2,6-dione
CID 63779036
4,4-dimethyl-1-(oxolan-2-ylmethyl)piperidin-3-one
CID 117025156
4-(ethoxymethyl)-1-(2-methoxyethyl)-4-methylpiperidine
CID 90227649
4-(2-methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 75374977
1-(2-methoxyethyl)-5-methyl-3,6-dihydro-2H-pyridine
CID 177317447
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-4-ol
CID 170581594
7-(2-methoxyethyl)-2-methyl-7-azaspiro[3.5]nonane
CID 167041007

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one?
The IUPAC name of 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one (CID 117025154) is 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one?
The canonical SMILES for 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one is COCCN1CCC(C)(C)C(=O)C1.
What is the InChIKey of 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one?
The InChIKey is YLZDYHUXUIIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2)4-5-11(6-7-13-3)8-9(10)12/h4-8H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one?
1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,4-dimethylpiperidin-3-one is sourced from PubChem (CID 117025154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).