2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone

C15H21NO3 — CID 39363116

IUPAC2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1cccc(C)c1OCC(=O)N1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-12(2)15(11)19-10-14(18)16-8-6-13(17)7-9-16/h3-5,13,17H,6-10H2,1-2H3
InChIKeyQNCOGTWYYKSNBM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.67
Rot. Bonds3

About 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone

2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 39363116) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID39363116
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESCc1cccc(C)c1OCC(=O)N1CCC(O)CC1
InChIInChI=1S/C15H21NO3/c1-11-4-3-5-12(2)15(11)19-10-14(18)16-8-6-13(17)7-9-16/h3-5,13,17H,6-10H2,1-2H3
InChIKeyQNCOGTWYYKSNBM-UHFFFAOYSA-N
XLogP1.67
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156670
2-(2,6-dimethylphenoxy)-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 27876650
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55956198
2-(2,6-dimethylphenoxy)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 46445731
N-[(4S,5S)-1-[2-(2,6-dimethylphenoxy)acetyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110164350
2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39404473
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
2-(2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4816169
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 39363116) is 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone is Cc1cccc(C)c1OCC(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is QNCOGTWYYKSNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-3-5-12(2)15(11)19-10-14(18)16-8-6-13(17)7-9-16/h3-5,13,17H,6-10H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 39363116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).