4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde

C13H17NO4S — CID 155923749

IUPAC4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
SMILESCOC1CCN(S(=O)(=O)c2ccc(C=O)cc2)CC1
InChIInChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3
InChIKeyUXSLYFUIGKMHEK-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.30
Rot. Bonds4

About 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde

4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde (PubChem CID 155923749) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
PubChem CID155923749
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde
SMILESCOC1CCN(S(=O)(=O)c2ccc(C=O)cc2)CC1
InChIInChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3
InChIKeyUXSLYFUIGKMHEK-UHFFFAOYSA-N
XLogP1.30
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde (CID 155923749) is 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde is COC1CCN(S(=O)(=O)c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde?
The InChIKey is UXSLYFUIGKMHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-18-12-6-8-14(9-7-12)19(16,17)13-4-2-11(10-15)3-5-13/h2-5,10,12H,6-9H2,1H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde?
4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde has a molecular weight of 283.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)sulfonylbenzaldehyde is sourced from PubChem (CID 155923749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).