2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone

C17H18FN3O2 — CID 24946899

IUPAC2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc(-c2ccccc2F)nn1)N1CCCCC1
InChIInChI=1S/C17H18FN3O2/c18-14-7-3-2-6-13(14)15-8-9-16(20-19-15)23-12-17(22)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12H2
InChIKeyBACLUZTXPVNLHG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone

2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone (PubChem CID 24946899) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone
PubChem CID24946899
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc(-c2ccccc2F)nn1)N1CCCCC1
InChIInChI=1S/C17H18FN3O2/c18-14-7-3-2-6-13(14)15-8-9-16(20-19-15)23-12-17(22)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12H2
InChIKeyBACLUZTXPVNLHG-UHFFFAOYSA-N
XLogP2.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone (CID 24946899) is 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone is O=C(COc1ccc(-c2ccccc2F)nn1)N1CCCCC1.
What is the InChIKey of 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone?
The InChIKey is BACLUZTXPVNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-7-3-2-6-13(14)15-8-9-16(20-19-15)23-12-17(22)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12H2.
What are the key properties of 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone?
2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone has a molecular weight of 315.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)pyridazin-3-yl]oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 24946899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).