2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

C21H29FN4O — CID 175017093

IUPAC2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(N(CCF)c2ccc(-c3ccccc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C21H29FN4O/c1-20(2)13-15(14-21(3,4)25-20)26(12-11-22)19-10-9-17(23-24-19)16-7-5-6-8-18(16)27/h5-10,15,25,27H,11-14H2,1-4H3
InChIKeyHESXIZZGHZDBSG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.93
Rot. Bonds5

About 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol

2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 175017093) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID175017093
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
SMILESCC1(C)CC(N(CCF)c2ccc(-c3ccccc3O)nn2)CC(C)(C)N1
InChIInChI=1S/C21H29FN4O/c1-20(2)13-15(14-21(3,4)25-20)26(12-11-22)19-10-9-17(23-24-19)16-7-5-6-8-18(16)27/h5-10,15,25,27H,11-14H2,1-4H3
InChIKeyHESXIZZGHZDBSG-UHFFFAOYSA-N
XLogP3.93
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol (CID 175017093) is 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is CC1(C)CC(N(CCF)c2ccc(-c3ccccc3O)nn2)CC(C)(C)N1.
What is the InChIKey of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is HESXIZZGHZDBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-20(2)13-15(14-21(3,4)25-20)26(12-11-22)19-10-9-17(23-24-19)16-7-5-6-8-18(16)27/h5-10,15,25,27H,11-14H2,1-4H3.
What are the key properties of 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol?
2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 372.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 175017093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).