4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine

C17H29N3O3 — CID 164676000

IUPAC4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine
SMILESCC(C)Oc1cc(OCCN2CCCCC2)c(OC(C)C)nn1
InChIInChI=1S/C17H29N3O3/c1-13(2)22-16-12-15(17(19-18-16)23-14(3)4)21-11-10-20-8-6-5-7-9-20/h12-14H,5-11H2,1-4H3
InChIKeyJXWLLPXMHVSREN-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.92
Rot. Bonds8

About 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine

4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine (PubChem CID 164676000) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine
PubChem CID164676000
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine
SMILESCC(C)Oc1cc(OCCN2CCCCC2)c(OC(C)C)nn1
InChIInChI=1S/C17H29N3O3/c1-13(2)22-16-12-15(17(19-18-16)23-14(3)4)21-11-10-20-8-6-5-7-9-20/h12-14H,5-11H2,1-4H3
InChIKeyJXWLLPXMHVSREN-UHFFFAOYSA-N
XLogP2.92
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine?
The IUPAC name of 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine (CID 164676000) is 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine.
What is the SMILES notation for 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine?
The canonical SMILES for 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine is CC(C)Oc1cc(OCCN2CCCCC2)c(OC(C)C)nn1.
What is the InChIKey of 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine?
The InChIKey is JXWLLPXMHVSREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(2)22-16-12-15(17(19-18-16)23-14(3)4)21-11-10-20-8-6-5-7-9-20/h12-14H,5-11H2,1-4H3.
What are the key properties of 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine?
4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine has a molecular weight of 323.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethoxy)-3,6-di(propan-2-yloxy)pyridazine is sourced from PubChem (CID 164676000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).