2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

C16H23NO2 — CID 80707439

IUPAC2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-4-5-13(2)14(10-12)11-15(18)17-8-6-16(3,19)7-9-17/h4-5,10,19H,6-9,11H2,1-3H3
InChIKeyGBJWXINPUTVQPC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone

2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 80707439) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
PubChem CID80707439
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
SMILESCc1ccc(C)c(CC(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C16H23NO2/c1-12-4-5-13(2)14(10-12)11-15(18)17-8-6-16(3,19)7-9-17/h4-5,10,19H,6-9,11H2,1-3H3
InChIKeyGBJWXINPUTVQPC-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
1-[2-(2,5-dimethylphenyl)acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259141
3-(2,5-dimethylphenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80702990
2-(2,5-dimethylphenyl)-1-(4-hydroxyiminopiperidin-1-yl)ethanone
CID 62538187
1-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 62538822
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 120818565
acetic acid;3-[2-(2,5-dimethylphenyl)acetyl]-11-methyl-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155940788
methyl 4-[4-[2-(2,5-dimethylphenyl)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 110801365
2-(2,5-dimethylphenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110802397
1-[4-(1-chloroethyl)piperidin-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 106838819
2-(2,5-dimethylphenyl)sulfanyl-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727076
2-(2-amino-5-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 99991735

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone (CID 80707439) is 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is Cc1ccc(C)c(CC(=O)N2CCC(C)(O)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is GBJWXINPUTVQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-4-5-13(2)14(10-12)11-15(18)17-8-6-16(3,19)7-9-17/h4-5,10,19H,6-9,11H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone?
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 80707439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).