2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol

C13H19NO2 — CID 104735822

IUPAC2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol
SMILESCC1CC(O)(Cc2cccnc2)CC(C)O1
InChIInChI=1S/C13H19NO2/c1-10-6-13(15,7-11(2)16-10)8-12-4-3-5-14-9-12/h3-5,9-11,15H,6-8H2,1-2H3
InChIKeyBSJPXKIFVLYQFQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.94
Rot. Bonds2

About 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol

2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol (PubChem CID 104735822) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol
PubChem CID104735822
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol
SMILESCC1CC(O)(Cc2cccnc2)CC(C)O1
InChIInChI=1S/C13H19NO2/c1-10-6-13(15,7-11(2)16-10)8-12-4-3-5-14-9-12/h3-5,9-11,15H,6-8H2,1-2H3
InChIKeyBSJPXKIFVLYQFQ-UHFFFAOYSA-N
XLogP1.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-3-ylmethyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171959402
9-oxo-3-(pyridin-3-ylmethyl)-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171959412
8-(pyridin-3-ylmethyl)spiro[4.5]decan-8-ol
CID 114819218
1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol
CID 134435119
3-methyl-1-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104735900
1,3,3-trimethyl-2-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 113446853
3-methyl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 104735858
4-methyl-1-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425432
N-ethyl-1-(5-methyloxolan-2-yl)-2-pyridin-3-ylethanamine
CID 105034589
2-tert-butyl-1-(pyridin-3-ylmethyl)cyclohexan-1-ol
CID 104735626
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol?
The IUPAC name of 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol (CID 104735822) is 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol.
What is the SMILES notation for 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol?
The canonical SMILES for 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol is CC1CC(O)(Cc2cccnc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol?
The InChIKey is BSJPXKIFVLYQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-6-13(15,7-11(2)16-10)8-12-4-3-5-14-9-12/h3-5,9-11,15H,6-8H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol?
2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol has a molecular weight of 221.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol is sourced from PubChem (CID 104735822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).