1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

C24H31NO2 — CID 160597039

IUPAC1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCc1ccccc1Oc1ccc(C(=O)CC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO2/c1-17-8-6-7-9-22(17)27-20-12-10-19(11-13-20)21(26)14-18-15-23(2,3)25-24(4,5)16-18/h6-13,18,25H,14-16H2,1-5H3
InChIKeyRDTPOQWCJNHWTL-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.92
Rot. Bonds5

About 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone

1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (PubChem CID 160597039) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
PubChem CID160597039
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
SMILESCc1ccccc1Oc1ccc(C(=O)CC2CC(C)(C)NC(C)(C)C2)cc1
InChIInChI=1S/C24H31NO2/c1-17-8-6-7-9-22(17)27-20-12-10-19(11-13-20)21(26)14-18-15-23(2,3)25-24(4,5)16-18/h6-13,18,25H,14-16H2,1-5H3
InChIKeyRDTPOQWCJNHWTL-UHFFFAOYSA-N
XLogP5.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone (CID 160597039) is 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is Cc1ccccc1Oc1ccc(C(=O)CC2CC(C)(C)NC(C)(C)C2)cc1.
What is the InChIKey of 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
The InChIKey is RDTPOQWCJNHWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-17-8-6-7-9-22(17)27-20-12-10-19(11-13-20)21(26)14-18-15-23(2,3)25-24(4,5)16-18/h6-13,18,25H,14-16H2,1-5H3.
What are the key properties of 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone?
1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone has a molecular weight of 365.52 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone is sourced from PubChem (CID 160597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).