2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone

C15H21NO2 — CID 60654838

IUPAC2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(O)C2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(8-12(11)2)9-15(18)16-7-3-4-14(17)10-16/h5-6,8,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyIIDVMZJHOFDRCS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.83
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 60654838) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID60654838
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC(O)C2)cc1C
InChIInChI=1S/C15H21NO2/c1-11-5-6-13(8-12(11)2)9-15(18)16-7-3-4-14(17)10-16/h5-6,8,14,17H,3-4,7,9-10H2,1-2H3
InChIKeyIIDVMZJHOFDRCS-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-methoxy-4-methylphenyl)ethanone
CID 107224910
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
2-(3,4-dimethylphenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 63107174
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
2-(3,4-dimethylphenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509955
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
ethyl 4-[(3S)-1-[2-(3,4-dimethylphenyl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 95713864
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 107224880
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(3-methoxy-4-methylphenyl)ethanone
CID 103900845
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 60654838) is 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone is Cc1ccc(CC(=O)N2CCCC(O)C2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is IIDVMZJHOFDRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-6-13(8-12(11)2)9-15(18)16-7-3-4-14(17)10-16/h5-6,8,14,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60654838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).