1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone

C16H23NO2 — CID 82485265

IUPAC1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-11-8-13(3)14(9-12(11)2)10-16(19)17-6-4-15(18)5-7-17/h8-9,15,18H,4-7,10H2,1-3H3
InChIKeyFXYYSPNVTAWVNE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.14
Rot. Bonds2

About 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone

1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone (PubChem CID 82485265) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone
PubChem CID82485265
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(CC(=O)N2CCC(O)CC2)cc1C
InChIInChI=1S/C16H23NO2/c1-11-8-13(3)14(9-12(11)2)10-16(19)17-6-4-15(18)5-7-17/h8-9,15,18H,4-7,10H2,1-3H3
InChIKeyFXYYSPNVTAWVNE-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-1-yl-2-(2,4,5-trimethylphenyl)ethanone
CID 110769594
1-(4-hydroxypiperidin-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 98019528
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110803893
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110806605
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2,4,5-trimethylphenyl)ethanone
CID 110769614
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
1-[2-(2,4,5-trimethylphenyl)acetyl]piperidin-3-one
CID 115277111
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110800534
2-(4-ethoxy-3-methylphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98021084
1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110815788
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110806586
4-(2,5-dimethylphenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 98019491

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone (CID 82485265) is 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(CC(=O)N2CCC(O)CC2)cc1C.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is FXYYSPNVTAWVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-8-13(3)14(9-12(11)2)10-16(19)17-6-4-15(18)5-7-17/h8-9,15,18H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone?
1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-2-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 82485265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).