1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone

C11H22N2O2 — CID 129414788

IUPAC1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCOC[C@H]1CCCN(C(=O)CNC)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-9-10-5-4-6-13(8-10)11(14)7-12-2/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyPTHQXCAXFJVEAV-JTQLQIEISA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds5

About 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone

1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 129414788) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID129414788
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
SMILESCCOC[C@H]1CCCN(C(=O)CNC)C1
InChIInChI=1S/C11H22N2O2/c1-3-15-9-10-5-4-6-13(8-10)11(14)7-12-2/h10,12H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyPTHQXCAXFJVEAV-JTQLQIEISA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone (CID 129414788) is 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone is CCOC[C@H]1CCCN(C(=O)CNC)C1.
What is the InChIKey of 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is PTHQXCAXFJVEAV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-15-9-10-5-4-6-13(8-10)11(14)7-12-2/h10,12H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone?
1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(ethoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 129414788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).