2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol

C13H21N3O — CID 21077795

IUPAC2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol
SMILESCc1cc(N2CCC(CCO)CC2)nnc1C
InChIInChI=1S/C13H21N3O/c1-10-9-13(15-14-11(10)2)16-6-3-12(4-7-16)5-8-17/h9,12,17H,3-8H2,1-2H3
InChIKeyFOYGPKFTUDWCGL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds3

About 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol

2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol (PubChem CID 21077795) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol
PubChem CID21077795
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol
SMILESCc1cc(N2CCC(CCO)CC2)nnc1C
InChIInChI=1S/C13H21N3O/c1-10-9-13(15-14-11(10)2)16-6-3-12(4-7-16)5-8-17/h9,12,17H,3-8H2,1-2H3
InChIKeyFOYGPKFTUDWCGL-UHFFFAOYSA-N
XLogP1.69
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol (CID 21077795) is 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol is Cc1cc(N2CCC(CCO)CC2)nnc1C.
What is the InChIKey of 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol?
The InChIKey is FOYGPKFTUDWCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-13(15-14-11(10)2)16-6-3-12(4-7-16)5-8-17/h9,12,17H,3-8H2,1-2H3.
What are the key properties of 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol?
2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dimethylpyridazin-3-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 21077795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).