1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one

C12H24N2O2 — CID 62847650

IUPAC1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOC1CCN(C(=O)C(C)(C)NC)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-10-6-8-14(9-7-10)11(15)12(2,3)13-4/h10,13H,5-9H2,1-4H3
InChIKeyGVFNGGKIMAWYEE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds4

About 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one

1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 62847650) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID62847650
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOC1CCN(C(=O)C(C)(C)NC)CC1
InChIInChI=1S/C12H24N2O2/c1-5-16-10-6-8-14(9-7-10)11(15)12(2,3)13-4/h10,13H,5-9H2,1-4H3
InChIKeyGVFNGGKIMAWYEE-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one (CID 62847650) is 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one is CCOC1CCN(C(=O)C(C)(C)NC)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is GVFNGGKIMAWYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-10-6-8-14(9-7-10)11(15)12(2,3)13-4/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one?
1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 62847650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).