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

C15H21NO4 — CID 98022284

IUPAC2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C15H21NO4/c1-19-13-3-4-14(20-2)11(9-13)10-15(18)16-7-5-12(17)6-8-16/h3-4,9,12,17H,5-8,10H2,1-2H3
InChIKeyYTRSIBJVVFZWAP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.23
Rot. Bonds4

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

2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 98022284) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID98022284
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C15H21NO4/c1-19-13-3-4-14(20-2)11(9-13)10-15(18)16-7-5-12(17)6-8-16/h3-4,9,12,17H,5-8,10H2,1-2H3
InChIKeyYTRSIBJVVFZWAP-UHFFFAOYSA-N
XLogP1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
2-(2,5-dimethoxyphenyl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 78869004
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,5-dimethoxyphenyl)ethanone;hydrochloride
CID 119636908
(2S,4R)-1-[2-(2,5-dimethoxyphenyl)acetyl]-4-hydroxypiperidine-2-carboxylic acid
CID 133123508
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 120658666
2-(2,5-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578268

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 98022284) is 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is COc1ccc(OC)c(CC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is YTRSIBJVVFZWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-13-3-4-14(20-2)11(9-13)10-15(18)16-7-5-12(17)6-8-16/h3-4,9,12,17H,5-8,10H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 98022284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).