4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine

C28H39N3O — CID 72722708

IUPAC4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine
SMILESCC1(C)CC(c2ccccc2)=NN(c2ccccc2)C1CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H39N3O/c1-26(2)20-24(22-14-9-7-10-15-22)29-30(23-16-11-8-12-17-23)25(26)21-32-31-27(3,4)18-13-19-28(31,5)6/h7-12,14-17,25H,13,18-21H2,1-6H3
InChIKeyZBSYEKDDTRTZBA-UHFFFAOYSA-N
MW433.64 g/mol
LogP6.67
Rot. Bonds5

About 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine

4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine (PubChem CID 72722708) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine.

Molecular Properties

Compound Name4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine
PubChem CID72722708
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine
SMILESCC1(C)CC(c2ccccc2)=NN(c2ccccc2)C1CON1C(C)(C)CCCC1(C)C
InChIInChI=1S/C28H39N3O/c1-26(2)20-24(22-14-9-7-10-15-22)29-30(23-16-11-8-12-17-23)25(26)21-32-31-27(3,4)18-13-19-28(31,5)6/h7-12,14-17,25H,13,18-21H2,1-6H3
InChIKeyZBSYEKDDTRTZBA-UHFFFAOYSA-N
XLogP6.67
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine?
The IUPAC name of 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine (CID 72722708) is 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine.
What is the SMILES notation for 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine?
The canonical SMILES for 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine is CC1(C)CC(c2ccccc2)=NN(c2ccccc2)C1CON1C(C)(C)CCCC1(C)C.
What is the InChIKey of 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine?
The InChIKey is ZBSYEKDDTRTZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-26(2)20-24(22-14-9-7-10-15-22)29-30(23-16-11-8-12-17-23)25(26)21-32-31-27(3,4)18-13-19-28(31,5)6/h7-12,14-17,25H,13,18-21H2,1-6H3.
What are the key properties of 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine?
4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine has a molecular weight of 433.64 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,6-diphenyl-3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-3,5-dihydropyridazine is sourced from PubChem (CID 72722708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).