6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile

C17H15F3N4O — CID 68504022

IUPAC6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)14-3-1-2-4-15(14)25-13-7-9-24(10-8-13)16-6-5-12(11-21)22-23-16/h1-6,13H,7-10H2
InChIKeyTZMYKXMEYFFMGQ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.41
Rot. Bonds3

About 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile

6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 68504022) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile
PubChem CID68504022
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1
InChIInChI=1S/C17H15F3N4O/c18-17(19,20)14-3-1-2-4-15(14)25-13-7-9-24(10-8-13)16-6-5-12(11-21)22-23-16/h1-6,13H,7-10H2
InChIKeyTZMYKXMEYFFMGQ-UHFFFAOYSA-N
XLogP3.41
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile (CID 68504022) is 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1.
What is the InChIKey of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is TZMYKXMEYFFMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c18-17(19,20)14-3-1-2-4-15(14)25-13-7-9-24(10-8-13)16-6-5-12(11-21)22-23-16/h1-6,13H,7-10H2.
What are the key properties of 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile?
6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 348.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 68504022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).