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

C11H15Cl2N3O — CID 71423710

IUPAC2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O/c12-10-7-9(11(13)15-14-10)16-4-1-8(2-5-16)3-6-17/h7-8,17H,1-6H2
InChIKeyYEWSTVDSFUQDMW-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.38
Rot. Bonds3

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

2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol (PubChem CID 71423710) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol
PubChem CID71423710
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol
SMILESOCCC1CCN(c2cc(Cl)nnc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O/c12-10-7-9(11(13)15-14-10)16-4-1-8(2-5-16)3-6-17/h7-8,17H,1-6H2
InChIKeyYEWSTVDSFUQDMW-UHFFFAOYSA-N
XLogP2.38
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol (CID 71423710) is 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol is OCCC1CCN(c2cc(Cl)nnc2Cl)CC1.
What is the InChIKey of 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol?
The InChIKey is YEWSTVDSFUQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c12-10-7-9(11(13)15-14-10)16-4-1-8(2-5-16)3-6-17/h7-8,17H,1-6H2.
What are the key properties of 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol?
2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol has a molecular weight of 276.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dichloropyridazin-4-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 71423710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).