1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol

C25H28ClN3O2 — CID 122184701

IUPAC1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)CC1
InChIInChI=1S/C25H28ClN3O2/c26-21-7-5-20(6-8-21)25-12-9-22(27-28-25)2-1-17-31-24-10-3-19(4-11-24)18-29-15-13-23(30)14-16-29/h3-12,23,30H,1-2,13-18H2
InChIKeyQOJATLFQZGUAPH-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.77
Rot. Bonds8

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

1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol (PubChem CID 122184701) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol
PubChem CID122184701
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)CC1
InChIInChI=1S/C25H28ClN3O2/c26-21-7-5-20(6-8-21)25-12-9-22(27-28-25)2-1-17-31-24-10-3-19(4-11-24)18-29-15-13-23(30)14-16-29/h3-12,23,30H,1-2,13-18H2
InChIKeyQOJATLFQZGUAPH-UHFFFAOYSA-N
XLogP4.77
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Chloro-phenyl)-6-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridazine
CID 59835799
3-[2-(1-Benzylpiperidin-4-yl)ethoxy]-6-phenylpyridazine;hydrate;dihydrochloride
CID 49860482
(3R)-1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-3-ol
CID 122184698
[1-[[4-[3-[6-(4-Chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-yl]methanol
CID 122184699
(3R)-1-[[4-[3-(6-phenoxypyridazin-3-yl)propoxy]phenyl]methyl]piperidin-3-ol
CID 122184700
[1-[[4-[3-(6-Phenoxypyridazin-3-yl)propoxy]phenyl]methyl]piperidin-4-yl]methanol
CID 122184702
1-[[4-[3-[6-(4-Fluorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol
CID 122184703
2-[6-(2-Chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-(cyclohexylmethyl)-7-azaspiro[3.5]nonane
CID 138562192
2-[6-(2-Chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonane
CID 138562151
7-Benzyl-2-[6-(2-chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-azaspiro[3.5]nonane
CID 138562214
2-[6-(2-Chloro-5-fluorophenyl)pyridazin-3-yl]oxy-7-(oxan-3-ylmethyl)-7-azaspiro[3.5]nonane
CID 138562222
1-(4-{2-[6-(4-Fluoro-benzyloxy)-pyridazin-3-yl]-ethyl}-benzyl)-piperidin-4-ol
CID 24986483

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol (CID 122184701) is 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc(OCCCc3ccc(-c4ccc(Cl)cc4)nn3)cc2)CC1.
What is the InChIKey of 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol?
The InChIKey is QOJATLFQZGUAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c26-21-7-5-20(6-8-21)25-12-9-22(27-28-25)2-1-17-31-24-10-3-19(4-11-24)18-29-15-13-23(30)14-16-29/h3-12,23,30H,1-2,13-18H2.
What are the key properties of 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol?
1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol has a molecular weight of 437.97 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3-[6-(4-chlorophenyl)pyridazin-3-yl]propoxy]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 122184701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).