3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine

C24H27N3O — CID 11810853

IUPAC3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine
SMILESc1ccc(CN2CCC(CCOc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-3-7-21(8-4-1)19-27-16-13-20(14-17-27)15-18-28-24-12-11-23(25-26-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2
InChIKeyVZIIROIDZAERNQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.82
Rot. Bonds7

About 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine

3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine (PubChem CID 11810853) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine
PubChem CID11810853
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine
SMILESc1ccc(CN2CCC(CCOc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-3-7-21(8-4-1)19-27-16-13-20(14-17-27)15-18-28-24-12-11-23(25-26-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2
InChIKeyVZIIROIDZAERNQ-UHFFFAOYSA-N
XLogP4.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine?
The IUPAC name of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine (CID 11810853) is 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine.
What is the SMILES notation for 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine?
The canonical SMILES for 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine is c1ccc(CN2CCC(CCOc3ccc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine?
The InChIKey is VZIIROIDZAERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-3-7-21(8-4-1)19-27-16-13-20(14-17-27)15-18-28-24-12-11-23(25-26-24)22-9-5-2-6-10-22/h1-12,20H,13-19H2.
What are the key properties of 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine?
3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine has a molecular weight of 373.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine is sourced from PubChem (CID 11810853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).