1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one

C11H21NO2 — CID 61150672

IUPAC1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCCOC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H21NO2/c1-4-14-10-5-7-12(8-6-10)11(13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyJOHJNRKJGVLCBI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one

1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one (PubChem CID 61150672) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one
PubChem CID61150672
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one
SMILESCCOC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C11H21NO2/c1-4-14-10-5-7-12(8-6-10)11(13)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyJOHJNRKJGVLCBI-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one (CID 61150672) is 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one is CCOC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one?
The InChIKey is JOHJNRKJGVLCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-10-5-7-12(8-6-10)11(13)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one?
1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 61150672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).