2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone

C12H24N2O2 — CID 82353212

IUPAC2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COCC(C)(C)N)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-6-14(7-5-10)11(15)8-16-9-12(2,3)13/h10H,4-9,13H2,1-3H3
InChIKeyAAUBBVRGIFKWLX-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone

2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 82353212) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID82353212
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)COCC(C)(C)N)CC1
InChIInChI=1S/C12H24N2O2/c1-10-4-6-14(7-5-10)11(15)8-16-9-12(2,3)13/h10H,4-9,13H2,1-3H3
InChIKeyAAUBBVRGIFKWLX-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone (CID 82353212) is 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)COCC(C)(C)N)CC1.
What is the InChIKey of 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is AAUBBVRGIFKWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-4-6-14(7-5-10)11(15)8-16-9-12(2,3)13/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone?
2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropoxy)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82353212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).