2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol

C21H30N6O — CID 171701163

IUPAC2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(N3CCN(Cc4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C21H30N6O/c28-17-16-24-8-12-26(13-9-24)20-6-7-21(23-22-20)27-14-10-25(11-15-27)18-19-4-2-1-3-5-19/h1-7,28H,8-18H2
InChIKeyJKVGFUKJGDHABL-UHFFFAOYSA-N
MW382.51 g/mol
LogP0.91
Rot. Bonds6

About 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol

2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 171701163) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID171701163
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ccc(N3CCN(Cc4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C21H30N6O/c28-17-16-24-8-12-26(13-9-24)20-6-7-21(23-22-20)27-14-10-25(11-15-27)18-19-4-2-1-3-5-19/h1-7,28H,8-18H2
InChIKeyJKVGFUKJGDHABL-UHFFFAOYSA-N
XLogP0.91
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol (CID 171701163) is 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2ccc(N3CCN(Cc4ccccc4)CC3)nn2)CC1.
What is the InChIKey of 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is JKVGFUKJGDHABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c28-17-16-24-8-12-26(13-9-24)20-6-7-21(23-22-20)27-14-10-25(11-15-27)18-19-4-2-1-3-5-19/h1-7,28H,8-18H2.
What are the key properties of 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol?
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 382.51 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 171701163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).