1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone

C15H21NO2 — CID 80706813

IUPAC1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C15H21NO2/c1-12-5-3-4-6-13(12)11-14(17)16-9-7-15(2,18)8-10-16/h3-6,18H,7-11H2,1-2H3
InChIKeyDBUXUSMIIYBLPE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.91
Rot. Bonds2

About 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone (PubChem CID 80706813) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
PubChem CID80706813
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C15H21NO2/c1-12-5-3-4-6-13(12)11-14(17)16-9-7-15(2,18)8-10-16/h3-6,18H,7-11H2,1-2H3
InChIKeyDBUXUSMIIYBLPE-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 115304493
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
2-(2,5-dimethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80707439
4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63124786
8-[2-(2-methylphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668836
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-(2-methylphenyl)ethanone
CID 155990898
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727404
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
8-[2-(2-methylphenyl)acetyl]-1,1-dioxo-4-phenyl-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91923824
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone (CID 80706813) is 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is DBUXUSMIIYBLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-5-3-4-6-13(12)11-14(17)16-9-7-15(2,18)8-10-16/h3-6,18H,7-11H2,1-2H3.
What are the key properties of 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone?
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 80706813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).