4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol

C12H19NO2 — CID 114998518

IUPAC4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
SMILESCC(C)OCCC(O)Cc1cccnc1
InChIInChI=1S/C12H19NO2/c1-10(2)15-7-5-12(14)8-11-4-3-6-13-9-11/h3-4,6,9-10,12,14H,5,7-8H2,1-2H3
InChIKeyNIHORRKMZBMYSS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.80
Rot. Bonds6

About 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol

4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol (PubChem CID 114998518) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
PubChem CID114998518
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
SMILESCC(C)OCCC(O)Cc1cccnc1
InChIInChI=1S/C12H19NO2/c1-10(2)15-7-5-12(14)8-11-4-3-6-13-9-11/h3-4,6,9-10,12,14H,5,7-8H2,1-2H3
InChIKeyNIHORRKMZBMYSS-UHFFFAOYSA-N
XLogP1.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propoxy-1-pyridin-3-ylbutan-2-ol
CID 105125026
1-pyridin-3-ylpentan-2-ol
CID 62553061
5-methylsulfanyl-1-pyridin-3-ylpentan-2-ol
CID 103089755
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-cyclohexyl-3-pyridin-3-ylpropan-2-ol
CID 62605827
4-propan-2-yloxy-2-pyridin-3-ylbutanoic acid
CID 154943553
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol?
The IUPAC name of 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol (CID 114998518) is 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol is CC(C)OCCC(O)Cc1cccnc1.
What is the InChIKey of 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol?
The InChIKey is NIHORRKMZBMYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)15-7-5-12(14)8-11-4-3-6-13-9-11/h3-4,6,9-10,12,14H,5,7-8H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol?
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol has a molecular weight of 209.29 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 114998518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).