(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol

C21H21N3O — CID 162633912

IUPAC(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
SMILESO[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H21N3O/c25-20-15-24(14-13-18(20)16-7-3-1-4-8-16)21-12-11-19(22-23-21)17-9-5-2-6-10-17/h1-12,18,20,25H,13-15H2/t18-,20-/m1/s1
InChIKeyRUNDCTBTSXLQLG-UYAOXDASSA-N
MW331.42 g/mol
LogP3.50
Rot. Bonds3

About (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol

(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol (PubChem CID 162633912) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
PubChem CID162633912
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
SMILESO[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C21H21N3O/c25-20-15-24(14-13-18(20)16-7-3-1-4-8-16)21-12-11-19(22-23-21)17-9-5-2-6-10-17/h1-12,18,20,25H,13-15H2/t18-,20-/m1/s1
InChIKeyRUNDCTBTSXLQLG-UYAOXDASSA-N
XLogP3.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225105
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
(3S,4R)-4-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-ol
CID 162630814
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
N-cyclohexyl-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360643
1-[6-(2-chlorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 3022107
4-methylbenzenesulfonic acid;8-methyl-3-(6-phenylpyridazin-3-yl)-3,8-diazabicyclo[4.2.0]octane
CID 87292824

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol?
The IUPAC name of (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol (CID 162633912) is (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol is O[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol?
The InChIKey is RUNDCTBTSXLQLG-UYAOXDASSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20-15-24(14-13-18(20)16-7-3-1-4-8-16)21-12-11-19(22-23-21)17-9-5-2-6-10-17/h1-12,18,20,25H,13-15H2/t18-,20-/m1/s1.
What are the key properties of (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol?
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol has a molecular weight of 331.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol is sourced from PubChem (CID 162633912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).