1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone

C12H23NO3 — CID 166827927

IUPAC1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone
SMILESCOC1(C(C)(C)C)CCN(C(=O)CO)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)12(16-4)5-7-13(8-6-12)10(15)9-14/h14H,5-9H2,1-4H3
InChIKeyYFOSYEAKPITKMA-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds2

About 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone

1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone (PubChem CID 166827927) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone
PubChem CID166827927
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone
SMILESCOC1(C(C)(C)C)CCN(C(=O)CO)CC1
InChIInChI=1S/C12H23NO3/c1-11(2,3)12(16-4)5-7-13(8-6-12)10(15)9-14/h14H,5-9H2,1-4H3
InChIKeyYFOSYEAKPITKMA-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone (CID 166827927) is 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone is COC1(C(C)(C)C)CCN(C(=O)CO)CC1.
What is the InChIKey of 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone?
The InChIKey is YFOSYEAKPITKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2,3)12(16-4)5-7-13(8-6-12)10(15)9-14/h14H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone?
1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone has a molecular weight of 229.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-4-methoxypiperidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 166827927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).