1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol

C11H16ClN3O — CID 57108856

IUPAC1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O/c12-11-5-4-9(13-14-11)10(16)8-15-6-2-1-3-7-15/h4-5,10,16H,1-3,6-8H2
InChIKeyZEWREEUXFGHNRB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds3

About 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol

1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol (PubChem CID 57108856) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol
PubChem CID57108856
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol
SMILESOC(CN1CCCCC1)c1ccc(Cl)nn1
InChIInChI=1S/C11H16ClN3O/c12-11-5-4-9(13-14-11)10(16)8-15-6-2-1-3-7-15/h4-5,10,16H,1-3,6-8H2
InChIKeyZEWREEUXFGHNRB-UHFFFAOYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol (CID 57108856) is 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol is OC(CN1CCCCC1)c1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol?
The InChIKey is ZEWREEUXFGHNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-11-5-4-9(13-14-11)10(16)8-15-6-2-1-3-7-15/h4-5,10,16H,1-3,6-8H2.
What are the key properties of 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol?
1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol has a molecular weight of 241.72 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-2-piperidin-1-ylethanol is sourced from PubChem (CID 57108856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).