3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine

C21H26FN3O — CID 133278346

IUPAC3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine
SMILESFc1ccc(-c2ccc(N3CCC(OC4CCCCC4)CC3)nn2)cc1
InChIInChI=1S/C21H26FN3O/c22-17-8-6-16(7-9-17)20-10-11-21(24-23-20)25-14-12-19(13-15-25)26-18-4-2-1-3-5-18/h6-11,18-19H,1-5,12-15H2
InChIKeySJORSBSNYKPIHJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.60
Rot. Bonds4

About 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine

3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine (PubChem CID 133278346) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine.

Molecular Properties

Compound Name3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine
PubChem CID133278346
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine
SMILESFc1ccc(-c2ccc(N3CCC(OC4CCCCC4)CC3)nn2)cc1
InChIInChI=1S/C21H26FN3O/c22-17-8-6-16(7-9-17)20-10-11-21(24-23-20)25-14-12-19(13-15-25)26-18-4-2-1-3-5-18/h6-11,18-19H,1-5,12-15H2
InChIKeySJORSBSNYKPIHJ-UHFFFAOYSA-N
XLogP4.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
N-cyclopentyl-2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]propanamide
CID 133287682
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412730
N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362794
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
CID 133271900
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]piperidine-4-carboxamide
CID 121072176
N-benzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-methylpiperidine-4-carboxamide
CID 30362833
4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine?
The IUPAC name of 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine (CID 133278346) is 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine.
What is the SMILES notation for 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine?
The canonical SMILES for 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine is Fc1ccc(-c2ccc(N3CCC(OC4CCCCC4)CC3)nn2)cc1.
What is the InChIKey of 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine?
The InChIKey is SJORSBSNYKPIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c22-17-8-6-16(7-9-17)20-10-11-21(24-23-20)25-14-12-19(13-15-25)26-18-4-2-1-3-5-18/h6-11,18-19H,1-5,12-15H2.
What are the key properties of 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine?
3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine has a molecular weight of 355.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine is sourced from PubChem (CID 133278346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).