4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine

C20H25FN4O — CID 133271900

IUPAC4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
SMILESCC1CN(C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)CCO1
InChIInChI=1S/C20H25FN4O/c1-15-14-25(12-13-26-15)18-8-10-24(11-9-18)20-7-6-19(22-23-20)16-2-4-17(21)5-3-16/h2-7,15,18H,8-14H2,1H3
InChIKeyDOZFFZHXLGLCRN-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.97
Rot. Bonds3

About 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine

4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine (PubChem CID 133271900) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
PubChem CID133271900
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
SMILESCC1CN(C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)CCO1
InChIInChI=1S/C20H25FN4O/c1-15-14-25(12-13-26-15)18-8-10-24(11-9-18)20-7-6-19(22-23-20)16-2-4-17(21)5-3-16/h2-7,15,18H,8-14H2,1H3
InChIKeyDOZFFZHXLGLCRN-UHFFFAOYSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
2-methyl-4-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 91659969
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
(2S)-2-methyl-4-[1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidin-4-yl]morpholine
CID 95580708
6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313984
3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine
CID 133278346
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412730
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
CID 133341779
(2R)-4-cyclopentyl-2-methylmorpholine
CID 131183036
(1S,6R)-9-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methyl-3,9-diazabicyclo[4.2.1]nonane;formic acid
CID 154914836
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97119042

Frequently Asked Questions

What is the IUPAC name of 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine?
The IUPAC name of 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine (CID 133271900) is 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine?
The canonical SMILES for 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine is CC1CN(C2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)CCO1.
What is the InChIKey of 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine?
The InChIKey is DOZFFZHXLGLCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-15-14-25(12-13-26-15)18-8-10-24(11-9-18)20-7-6-19(22-23-20)16-2-4-17(21)5-3-16/h2-7,15,18H,8-14H2,1H3.
What are the key properties of 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine?
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine has a molecular weight of 356.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 133271900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).