1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol

C13H19NO2 — CID 104823049

IUPAC1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
SMILESCc1ccc(C(O)CC2CCOCC2)cn1
InChIInChI=1S/C13H19NO2/c1-10-2-3-12(9-14-10)13(15)8-11-4-6-16-7-5-11/h2-3,9,11,13,15H,4-8H2,1H3
InChIKeyYIAPRGDEFOTMHW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol

1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol (PubChem CID 104823049) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
PubChem CID104823049
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol
SMILESCc1ccc(C(O)CC2CCOCC2)cn1
InChIInChI=1S/C13H19NO2/c1-10-2-3-12(9-14-10)13(15)8-11-4-6-16-7-5-11/h2-3,9,11,13,15H,4-8H2,1H3
InChIKeyYIAPRGDEFOTMHW-UHFFFAOYSA-N
XLogP2.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
CID 105096815
1-[4-(dimethylamino)phenyl]-2-(oxan-4-yl)ethanol
CID 65150488
1-(3-chloro-4-methylphenyl)-2-(oxan-4-yl)ethanol
CID 115789651
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
2-(oxan-4-yl)-1-pyrimidin-2-ylethanol
CID 62608022
2-cyclopentyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 115854888
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
CID 65139338
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanol
CID 79721741
2-(cyclohexylamino)-1-(6-methyl-3-pyridinyl)ethanol
CID 56694973
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 105109885
1-[3-(difluoromethyl)phenyl]-2-(oxan-4-yl)ethanol
CID 115527745
1-(4-fluoro-3-methoxyphenyl)-2-(oxan-4-yl)ethanol
CID 115789579

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol (CID 104823049) is 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol is Cc1ccc(C(O)CC2CCOCC2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol?
The InChIKey is YIAPRGDEFOTMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-2-3-12(9-14-10)13(15)8-11-4-6-16-7-5-11/h2-3,9,11,13,15H,4-8H2,1H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol?
1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 104823049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).