1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol

C16H25NO2 — CID 115822339

IUPAC1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
SMILESCCc1ccc(CC(O)CCC2CCCCO2)nc1
InChIInChI=1S/C16H25NO2/c1-2-13-6-7-14(17-12-13)11-15(18)8-9-16-5-3-4-10-19-16/h6-7,12,15-16,18H,2-5,8-11H2,1H3
InChIKeyIFBDCYCOXCBCRR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol

1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol (PubChem CID 115822339) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
PubChem CID115822339
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
SMILESCCc1ccc(CC(O)CCC2CCCCO2)nc1
InChIInChI=1S/C16H25NO2/c1-2-13-6-7-14(17-12-13)11-15(18)8-9-16-5-3-4-10-19-16/h6-7,12,15-16,18H,2-5,8-11H2,1H3
InChIKeyIFBDCYCOXCBCRR-UHFFFAOYSA-N
XLogP2.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
4-(oxan-2-yl)-1-pyridin-2-ylbutan-2-ol
CID 66459685
N-ethyl-1-(5-ethyl-2-pyridinyl)-3-(oxolan-2-yl)propan-2-amine
CID 79748191
1-(3,4-dimethylphenyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167117
4-(oxolan-2-yl)-1-phenylbutan-2-ol
CID 65162186
2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
CID 66454874
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1-(5-bromo-3-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 115833432
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(2-methylpyrazol-3-yl)-5-(oxan-2-yl)pentan-3-ol
CID 103028043
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105334479

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol (CID 115822339) is 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol is CCc1ccc(CC(O)CCC2CCCCO2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol?
The InChIKey is IFBDCYCOXCBCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-13-6-7-14(17-12-13)11-15(18)8-9-16-5-3-4-10-19-16/h6-7,12,15-16,18H,2-5,8-11H2,1H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol?
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol is sourced from PubChem (CID 115822339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).