1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C12H23NO2 — CID 112604744

IUPAC1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C12H23NO2/c1-10-5-7-13(8-6-10)11(14)9-15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyUFSJVJYDJVHFNQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 112604744) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID112604744
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC1CCN(C(=O)COC(C)(C)C)CC1
InChIInChI=1S/C12H23NO2/c1-10-5-7-13(8-6-10)11(14)9-15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeyUFSJVJYDJVHFNQ-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 112604744) is 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC1CCN(C(=O)COC(C)(C)C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is UFSJVJYDJVHFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-5-7-13(8-6-10)11(14)9-15-12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 213.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 112604744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).