1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol

C14H21NO2 — CID 66461132

IUPAC1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
SMILESCc1ccc(CC(O)CCC2CCCO2)nc1
InChIInChI=1S/C14H21NO2/c1-11-4-5-12(15-10-11)9-13(16)6-7-14-3-2-8-17-14/h4-5,10,13-14,16H,2-3,6-9H2,1H3
InChIKeyYWHDMZAWCLQWTG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.25
Rot. Bonds5

About 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol

1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol (PubChem CID 66461132) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
PubChem CID66461132
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
SMILESCc1ccc(CC(O)CCC2CCCO2)nc1
InChIInChI=1S/C14H21NO2/c1-11-4-5-12(15-10-11)9-13(16)6-7-14-3-2-8-17-14/h4-5,10,13-14,16H,2-3,6-9H2,1H3
InChIKeyYWHDMZAWCLQWTG-UHFFFAOYSA-N
XLogP2.25
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
CID 66454874
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167117
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105334555
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105334479
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol (CID 66461132) is 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol is Cc1ccc(CC(O)CCC2CCCO2)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
The InChIKey is YWHDMZAWCLQWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-12(15-10-11)9-13(16)6-7-14-3-2-8-17-14/h4-5,10,13-14,16H,2-3,6-9H2,1H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol?
1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol is sourced from PubChem (CID 66461132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).