1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone

C15H21NO2 — CID 61399740

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO2/c1-11-5-3-6-12(2)16(11)15(18)10-13-7-4-8-14(17)9-13/h4,7-9,11-12,17H,3,5-6,10H2,1-2H3
InChIKeyIOBZIFXMTBIIJE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone (PubChem CID 61399740) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
PubChem CID61399740
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO2/c1-11-5-3-6-12(2)16(11)15(18)10-13-7-4-8-14(17)9-13/h4,7-9,11-12,17H,3,5-6,10H2,1-2H3
InChIKeyIOBZIFXMTBIIJE-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
1-(3,5-dimethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 63861899
2-(3-hydroxyphenyl)-N-(2-methylcyclopentyl)acetamide
CID 63279410
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
N-(3-hydroxyphenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 108895797
2-(3-hydroxyphenyl)-N-(4-methylcycloheptyl)acetamide
CID 102809381
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110771791
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80678156

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone (CID 61399740) is 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone is CC1CCCC(C)N1C(=O)Cc1cccc(O)c1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone?
The InChIKey is IOBZIFXMTBIIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-3-6-12(2)16(11)15(18)10-13-7-4-8-14(17)9-13/h4,7-9,11-12,17H,3,5-6,10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 61399740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).