1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C23H35NO2 — CID 160832655

IUPAC1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(OC3CCCCC3)cc2)CC(C)(C)N1
InChIInChI=1S/C23H35NO2/c1-22(2)15-17(16-23(3,4)24-22)14-21(25)18-10-12-20(13-11-18)26-19-8-6-5-7-9-19/h10-13,17,19,24H,5-9,14-16H2,1-4H3
InChIKeySGZRWHWUENMPDP-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.53
Rot. Bonds5

About 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 160832655) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID160832655
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc(OC3CCCCC3)cc2)CC(C)(C)N1
InChIInChI=1S/C23H35NO2/c1-22(2)15-17(16-23(3,4)24-22)14-21(25)18-10-12-20(13-11-18)26-19-8-6-5-7-9-19/h10-13,17,19,24H,5-9,14-16H2,1-4H3
InChIKeySGZRWHWUENMPDP-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 160832655) is 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is CC1(C)CC(CC(=O)c2ccc(OC3CCCCC3)cc2)CC(C)(C)N1.
What is the InChIKey of 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is SGZRWHWUENMPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-22(2)15-17(16-23(3,4)24-22)14-21(25)18-10-12-20(13-11-18)26-19-8-6-5-7-9-19/h10-13,17,19,24H,5-9,14-16H2,1-4H3.
What are the key properties of 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 357.54 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 160832655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).