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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Related Compounds

1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[6-(2-bromophenyl)pyridazin-3-yl]piperidin-3-ol
CID 116972807
1-(6-thiophen-2-ylpyridazin-3-yl)piperidin-3-ol
CID 56770286
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
1-[2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-3-ol
CID 56771077
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]piperidin-3-ol
CID 116972808
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
1-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperidin-3-ol
CID 80630040

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).