1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid

C22H21N3O3 — CID 172630170

IUPAC1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C22H21N3O3/c26-20-9-5-4-8-18(20)19-14-17(15-23-24-19)25-12-10-22(11-13-25,21(27)28)16-6-2-1-3-7-16/h1-9,14-15,26H,10-13H2,(H,27,28)
InChIKeyAHUIFWYHWSNREZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.47
Rot. Bonds4

About 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid

1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 172630170) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID172630170
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C22H21N3O3/c26-20-9-5-4-8-18(20)19-14-17(15-23-24-19)25-12-10-22(11-13-25,21(27)28)16-6-2-1-3-7-16/h1-9,14-15,26H,10-13H2,(H,27,28)
InChIKeyAHUIFWYHWSNREZ-UHFFFAOYSA-N
XLogP3.47
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid (CID 172630170) is 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1.
What is the InChIKey of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is AHUIFWYHWSNREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-20-9-5-4-8-18(20)19-14-17(15-23-24-19)25-12-10-22(11-13-25,21(27)28)16-6-2-1-3-7-16/h1-9,14-15,26H,10-13H2,(H,27,28).
What are the key properties of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid?
1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 375.43 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 172630170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).