1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol

C18H23FN4O — CID 111105247

IUPAC1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCN(c1cccnn1)C1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O/c1-22(18-3-2-10-20-21-18)16-8-11-23(12-9-16)13-17(24)14-4-6-15(19)7-5-14/h2-7,10,16-17,24H,8-9,11-13H2,1H3
InChIKeyAFVVPODRVTZOPH-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.25
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol

1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol (PubChem CID 111105247) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
PubChem CID111105247
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
SMILESCN(c1cccnn1)C1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H23FN4O/c1-22(18-3-2-10-20-21-18)16-8-11-23(12-9-16)13-17(24)14-4-6-15(19)7-5-14/h2-7,10,16-17,24H,8-9,11-13H2,1H3
InChIKeyAFVVPODRVTZOPH-UHFFFAOYSA-N
XLogP2.25
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol (CID 111105247) is 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol is CN(c1cccnn1)C1CCN(CC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
The InChIKey is AFVVPODRVTZOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22(18-3-2-10-20-21-18)16-8-11-23(12-9-16)13-17(24)14-4-6-15(19)7-5-14/h2-7,10,16-17,24H,8-9,11-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol?
1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol has a molecular weight of 330.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol is sourced from PubChem (CID 111105247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).