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

C22H21N3O2 — CID 172630131

IUPAC1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde
SMILESO=CC1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C22H21N3O2/c26-16-22(17-6-2-1-3-7-17)10-12-25(13-11-22)18-14-20(24-23-15-18)19-8-4-5-9-21(19)27/h1-9,14-16,27H,10-13H2
InChIKeyQVDFMLOPTWTGNX-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.59
Rot. Bonds4

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

1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde (PubChem CID 172630131) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde
PubChem CID172630131
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde
SMILESO=CC1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1
InChIInChI=1S/C22H21N3O2/c26-16-22(17-6-2-1-3-7-17)10-12-25(13-11-22)18-14-20(24-23-15-18)19-8-4-5-9-21(19)27/h1-9,14-16,27H,10-13H2
InChIKeyQVDFMLOPTWTGNX-UHFFFAOYSA-N
XLogP3.59
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde?
The IUPAC name of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde (CID 172630131) is 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde is O=CC1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1.
What is the InChIKey of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde?
The InChIKey is QVDFMLOPTWTGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-16-22(17-6-2-1-3-7-17)10-12-25(13-11-22)18-14-20(24-23-15-18)19-8-4-5-9-21(19)27/h1-9,14-16,27H,10-13H2.
What are the key properties of 1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde?
1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidine-4-carbaldehyde has a molecular weight of 359.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 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-carbaldehyde is sourced from PubChem (CID 172630131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).