2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone

C11H21NO2 — CID 12636378

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone
SMILESCC(C)(C)OCC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-9-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyFCZBBQNSRIMCNR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone

2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone (PubChem CID 12636378) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone
PubChem CID12636378
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone
SMILESCC(C)(C)OCC(=O)N1CCCCC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-9-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3
InChIKeyFCZBBQNSRIMCNR-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone (CID 12636378) is 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone is CC(C)(C)OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone?
The InChIKey is FCZBBQNSRIMCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-9-10(13)12-7-5-4-6-8-12/h4-9H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone?
2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone has a molecular weight of 199.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 12636378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).