1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol

C17H21N3O — CID 56770757

IUPAC1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
SMILESCCc1ccc(-c2ccc(N3CCCC(O)C3)nn2)cc1
InChIInChI=1S/C17H21N3O/c1-2-13-5-7-14(8-6-13)16-9-10-17(19-18-16)20-11-3-4-15(21)12-20/h5-10,15,21H,2-4,11-12H2,1H3
InChIKeyQPUASERIJUYOSP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.67
Rot. Bonds3

About 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol

1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol (PubChem CID 56770757) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
PubChem CID56770757
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol
SMILESCCc1ccc(-c2ccc(N3CCCC(O)C3)nn2)cc1
InChIInChI=1S/C17H21N3O/c1-2-13-5-7-14(8-6-13)16-9-10-17(19-18-16)20-11-3-4-15(21)12-20/h5-10,15,21H,2-4,11-12H2,1H3
InChIKeyQPUASERIJUYOSP-UHFFFAOYSA-N
XLogP2.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol?
The IUPAC name of 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol (CID 56770757) is 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol.
What is the SMILES notation for 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol?
The canonical SMILES for 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol is CCc1ccc(-c2ccc(N3CCCC(O)C3)nn2)cc1.
What is the InChIKey of 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol?
The InChIKey is QPUASERIJUYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-13-5-7-14(8-6-13)16-9-10-17(19-18-16)20-11-3-4-15(21)12-20/h5-10,15,21H,2-4,11-12H2,1H3.
What are the key properties of 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol?
1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol has a molecular weight of 283.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylphenyl)pyridazin-3-yl]piperidin-3-ol is sourced from PubChem (CID 56770757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).