3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

C16H25NO2 — CID 105131997

IUPAC3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCc2ccncc2)C(C)(C)O1
InChIInChI=1S/C16H25NO2/c1-15(2)11-13(16(3,4)19-15)14(18)6-5-12-7-9-17-10-8-12/h7-10,13-14,18H,5-6,11H2,1-4H3
InChIKeyWAPYTXQSUGUDQQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.97
Rot. Bonds4

About 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol

3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (PubChem CID 105131997) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
PubChem CID105131997
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
SMILESCC1(C)CC(C(O)CCc2ccncc2)C(C)(C)O1
InChIInChI=1S/C16H25NO2/c1-15(2)11-13(16(3,4)19-15)14(18)6-5-12-7-9-17-10-8-12/h7-10,13-14,18H,5-6,11H2,1-4H3
InChIKeyWAPYTXQSUGUDQQ-UHFFFAOYSA-N
XLogP2.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622059
2-(2,6-difluorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 115838834
(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
(2-propylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622236
2-cyclopropyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622710
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
2-(tert-butylamino)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114624352
6-methyl-1-pyridin-4-ylheptan-3-ol
CID 105085467
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205
(2,5-dimethylpyrazol-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 105132053
2-(oxolan-3-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622736
1-methoxy-4-pyridin-4-ylbutan-2-ol
CID 79422011

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The IUPAC name of 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol (CID 105131997) is 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol.
What is the SMILES notation for 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The canonical SMILES for 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is CC1(C)CC(C(O)CCc2ccncc2)C(C)(C)O1.
What is the InChIKey of 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
The InChIKey is WAPYTXQSUGUDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)11-13(16(3,4)19-15)14(18)6-5-12-7-9-17-10-8-12/h7-10,13-14,18H,5-6,11H2,1-4H3.
What are the key properties of 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol?
3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol is sourced from PubChem (CID 105131997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).