5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine

C22H27F2N3O2 — CID 123791264

IUPAC5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine
SMILESFC(F)C1CCNCC1Oc1cc(-c2ccc(OC3CCCCC3)cc2)cnn1
InChIInChI=1S/C22H27F2N3O2/c23-22(24)19-10-11-25-14-20(19)29-21-12-16(13-26-27-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h6-9,12-13,17,19-20,22,25H,1-5,10-11,14H2
InChIKeyUQDGMJCVMZJMRS-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.48
Rot. Bonds6

About 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine

5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine (PubChem CID 123791264) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine
PubChem CID123791264
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC Name5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine
SMILESFC(F)C1CCNCC1Oc1cc(-c2ccc(OC3CCCCC3)cc2)cnn1
InChIInChI=1S/C22H27F2N3O2/c23-22(24)19-10-11-25-14-20(19)29-21-12-16(13-26-27-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h6-9,12-13,17,19-20,22,25H,1-5,10-11,14H2
InChIKeyUQDGMJCVMZJMRS-UHFFFAOYSA-N
XLogP4.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11274091, Example 25
CID 146240802
US11274091, Example 28
CID 146240935
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3S,4R)-4-(difluoromethyl)-1-methylpiperidin-3-yl]oxypyridazine
CID 58438352
3-Butyl-4-[4-(4,4-difluorocyclohexyl)oxyphenyl]-6-(1-methylpiperidin-4-yl)oxypyridazine
CID 58438363
6-(1-Methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyridazine
CID 58438373
3-Butyl-4-(4-cyclohexyloxy-phenyl)-6-(4-fluoro-1-methyl-piperidin-4-ylmethoxy)-pyridazine
CID 58438408
3-Butyl-4-(4-cyclohexyloxy-phenyl)-6-(4,4-difluoro-1-methyl-piperidin-3-ylmethoxy)-pyridazine
CID 58438409
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]oxypyridazine
CID 58438412
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]oxypyridazine
CID 58438418
3-Butyl-4-(4-cyclohexyloxy-phenyl)-6-(1-methyl-piperidin-4-yloxy)-5-trifluoromethyl-pyridazine
CID 58438424
5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963705
9-fluoro-5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964233

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine?
The IUPAC name of 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine (CID 123791264) is 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine.
What is the SMILES notation for 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine?
The canonical SMILES for 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine is FC(F)C1CCNCC1Oc1cc(-c2ccc(OC3CCCCC3)cc2)cnn1.
What is the InChIKey of 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine?
The InChIKey is UQDGMJCVMZJMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c23-22(24)19-10-11-25-14-20(19)29-21-12-16(13-26-27-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h6-9,12-13,17,19-20,22,25H,1-5,10-11,14H2.
What are the key properties of 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine?
5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine has a molecular weight of 403.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine is sourced from PubChem (CID 123791264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).