2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone

C12H24N2O3 — CID 113265212

IUPAC2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(C(=O)COCCOC)C1
InChIInChI=1S/C12H24N2O3/c1-13-8-11-4-3-5-14(9-11)12(15)10-17-7-6-16-2/h11,13H,3-10H2,1-2H3
InChIKeyPCKZVGXQMRNWOE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.11
Rot. Bonds7

About 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone

2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone (PubChem CID 113265212) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
PubChem CID113265212
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
SMILESCNCC1CCCN(C(=O)COCCOC)C1
InChIInChI=1S/C12H24N2O3/c1-13-8-11-4-3-5-14(9-11)12(15)10-17-7-6-16-2/h11,13H,3-10H2,1-2H3
InChIKeyPCKZVGXQMRNWOE-UHFFFAOYSA-N
XLogP0.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 119396607
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
2-butoxy-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 71915017
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone (CID 113265212) is 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone is CNCC1CCCN(C(=O)COCCOC)C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
The InChIKey is PCKZVGXQMRNWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-13-8-11-4-3-5-14(9-11)12(15)10-17-7-6-16-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone?
2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone has a molecular weight of 244.33 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113265212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).