1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol

C26H32N4O2 — CID 122184693

IUPAC1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN4CCCC(O)C4)cc3)nn2)cc1
InChIInChI=1S/C26H32N4O2/c1-32-25-13-8-21(9-14-25)26-15-12-23(28-29-26)4-2-16-27-22-10-6-20(7-11-22)18-30-17-3-5-24(31)19-30/h6-15,24,27,31H,2-5,16-19H2,1H3
InChIKeyDZSBFILJNZKJGY-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.15
Rot. Bonds9

About 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol

1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol (PubChem CID 122184693) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol
PubChem CID122184693
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol
SMILESCOc1ccc(-c2ccc(CCCNc3ccc(CN4CCCC(O)C4)cc3)nn2)cc1
InChIInChI=1S/C26H32N4O2/c1-32-25-13-8-21(9-14-25)26-15-12-23(28-29-26)4-2-16-27-22-10-6-20(7-11-22)18-30-17-3-5-24(31)19-30/h6-15,24,27,31H,2-5,16-19H2,1H3
InChIKeyDZSBFILJNZKJGY-UHFFFAOYSA-N
XLogP4.15
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol (CID 122184693) is 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol is COc1ccc(-c2ccc(CCCNc3ccc(CN4CCCC(O)C4)cc3)nn2)cc1.
What is the InChIKey of 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol?
The InChIKey is DZSBFILJNZKJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-32-25-13-8-21(9-14-25)26-15-12-23(28-29-26)4-2-16-27-22-10-6-20(7-11-22)18-30-17-3-5-24(31)19-30/h6-15,24,27,31H,2-5,16-19H2,1H3.
What are the key properties of 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol?
1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol has a molecular weight of 432.57 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[6-(4-methoxyphenyl)pyridazin-3-yl]propylamino]phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 122184693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).