2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone

C24H29NO2 — CID 157264817

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc3c(c2)Cc2ccccc2O3)CC(C)(C)N1
InChIInChI=1S/C24H29NO2/c1-23(2)14-16(15-24(3,4)25-23)11-20(26)17-9-10-22-19(12-17)13-18-7-5-6-8-21(18)27-22/h5-10,12,16,25H,11,13-15H2,1-4H3
InChIKeyAXWJWJXIGIGDQT-UHFFFAOYSA-N
MW363.50 g/mol
LogP5.51
Rot. Bonds3

About 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone

2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone (PubChem CID 157264817) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone
PubChem CID157264817
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone
SMILESCC1(C)CC(CC(=O)c2ccc3c(c2)Cc2ccccc2O3)CC(C)(C)N1
InChIInChI=1S/C24H29NO2/c1-23(2)14-16(15-24(3,4)25-23)11-20(26)17-9-10-22-19(12-17)13-18-7-5-6-8-21(18)27-22/h5-10,12,16,25H,11,13-15H2,1-4H3
InChIKeyAXWJWJXIGIGDQT-UHFFFAOYSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-phenylethyl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 162127881
sodium 9H-xanthene-2-carboxylate
CID 141396491
1-[4-(2-methylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160597039
1-[4-(3,4-dimethylphenoxy)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 159311247
1-[7,8-bis(4-chlorobutanoyl)-9H-xanthen-2-yl]-4-chlorobutan-1-one;9H-xanthene
CID 163467489
2-(diethylamino)-1-[6-[2-(diethylamino)acetyl]-9H-xanthen-2-yl]ethanone
CID 54369221
2-[2-chloro-4-[2-(2,2,6,6-tetramethylpiperidin-4-yl)acetyl]phenoxy]benzonitrile
CID 158066458
1-(4-cyclohexyloxyphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 160832655
N,N-diethyl-9H-xanthene-3-carboxamide
CID 69349327
1-[3-chloro-4-(3-phenylpyrrolidin-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 158302652
9H-xanthene
CID 7107
9H-xanthen-2-ol
CID 10219823

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone (CID 157264817) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone is CC1(C)CC(CC(=O)c2ccc3c(c2)Cc2ccccc2O3)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone?
The InChIKey is AXWJWJXIGIGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c1-23(2)14-16(15-24(3,4)25-23)11-20(26)17-9-10-22-19(12-17)13-18-7-5-6-8-21(18)27-22/h5-10,12,16,25H,11,13-15H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone?
2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone has a molecular weight of 363.50 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1-(9H-xanthen-2-yl)ethanone is sourced from PubChem (CID 157264817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).