1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone

C15H21NO2 — CID 114341231

IUPAC1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2CCC(C)(C)CC2)nc1
InChIInChI=1S/C15H21NO2/c1-11(17)12-4-5-14(16-10-12)18-13-6-8-15(2,3)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyADARHSFRXFOARA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.63
Rot. Bonds3

About 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone

1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone (PubChem CID 114341231) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
PubChem CID114341231
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OC2CCC(C)(C)CC2)nc1
InChIInChI=1S/C15H21NO2/c1-11(17)12-4-5-14(16-10-12)18-13-6-8-15(2,3)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyADARHSFRXFOARA-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(oxetan-3-yloxy)-3-pyridinyl]ethanone
CID 102604862
1-[5-(4,4-dimethylcyclohexyl)oxy-2-pyridinyl]ethanone
CID 114341234
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
1-[6-(2-cyclopropylethoxy)-3-pyridinyl]ethanone
CID 106202164
1-[(6-cyclopentyloxypyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515066
N-[[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]methyl]propan-2-amine
CID 114342292
methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride
CID 91812449
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 120515882
5-bromo-2-(4,4-dimethylcyclohexyl)oxy-4-methylpyridine
CID 114870816
6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylic acid
CID 114340733
2-[(6-cyclopentyloxypyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 120518735
1-[6-(2-fluoroethoxy)-3-pyridinyl]ethanone
CID 58629025

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone (CID 114341231) is 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone is CC(=O)c1ccc(OC2CCC(C)(C)CC2)nc1.
What is the InChIKey of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
The InChIKey is ADARHSFRXFOARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(17)12-4-5-14(16-10-12)18-13-6-8-15(2,3)9-7-13/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone?
1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-dimethylcyclohexyl)oxy-3-pyridinyl]ethanone is sourced from PubChem (CID 114341231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).