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

C15H21NO2 — CID 61399740

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
SMILESCC1CCCC(N1C(=O)CC2=CC(=CC=C2)O)C
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
MW247.33 g/mol
LogP2.70
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 247.33 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 Weight247.33 g/mol
Exact Mass247.16
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
SMILESCC1CCCC(N1C(=O)CC2=CC(=CC=C2)O)C
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
XLogP2.70
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity282

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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(N1C(=O)CC2=CC(=CC=C2)O)C.
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 247.33 g/mol, XLogP of 2.70, 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).