4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine

C23H22F3N3O2 — CID 67371609

IUPAC4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnc(OC2CCNCC2)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)22-20(14-21(28-29-22)31-19-10-12-27-13-11-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16/h1-9,14,19,27H,10-13,15H2
InChIKeyVQPJLXLSUZJROP-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.87
Rot. Bonds6

About 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine

4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine (PubChem CID 67371609) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine
PubChem CID67371609
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnc(OC2CCNCC2)cc1-c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)22-20(14-21(28-29-22)31-19-10-12-27-13-11-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16/h1-9,14,19,27H,10-13,15H2
InChIKeyVQPJLXLSUZJROP-UHFFFAOYSA-N
XLogP4.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine?
The IUPAC name of 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine (CID 67371609) is 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine?
The canonical SMILES for 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine is FC(F)(F)c1nnc(OC2CCNCC2)cc1-c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine?
The InChIKey is VQPJLXLSUZJROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)22-20(14-21(28-29-22)31-19-10-12-27-13-11-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16/h1-9,14,19,27H,10-13,15H2.
What are the key properties of 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine?
4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine has a molecular weight of 429.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyphenyl)-6-piperidin-4-yloxy-3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 67371609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).