1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone

C12H23NO3 — CID 103601586

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H23NO3/c1-10-6-11(2)8-13(7-10)12(14)9-16-5-4-15-3/h10-11H,4-9H2,1-3H3
InChIKeyKBWNGQHPCCGBHH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.15
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone (PubChem CID 103601586) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
PubChem CID103601586
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
SMILESCOCCOCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H23NO3/c1-10-6-11(2)8-13(7-10)12(14)9-16-5-4-15-3/h10-11H,4-9H2,1-3H3
InChIKeyKBWNGQHPCCGBHH-UHFFFAOYSA-N
XLogP1.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.15
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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Related Compounds

2-(2-methoxyethoxy)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 105056363
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1-(2-ethylthiomorpholin-4-yl)-2-(2-methoxyethoxy)ethanone
CID 103709580
1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
CID 20583703
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
CID 113235213
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 108570063
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone (CID 103601586) is 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone is COCCOCC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
The InChIKey is KBWNGQHPCCGBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10-6-11(2)8-13(7-10)12(14)9-16-5-4-15-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone has a molecular weight of 229.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone is sourced from PubChem (CID 103601586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).