4-(4-oxopiperidin-1-yl)benzaldehyde

C12H13NO2 — CID 12717443

IUPAC4-(4-oxopiperidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H13NO2/c14-9-10-1-3-11(4-2-10)13-7-5-12(15)6-8-13/h1-4,9H,5-8H2
InChIKeyISJNFUOQXDDVSG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.67
Rot. Bonds2

About 4-(4-oxopiperidin-1-yl)benzaldehyde

4-(4-oxopiperidin-1-yl)benzaldehyde (PubChem CID 12717443) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(4-oxopiperidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-oxopiperidin-1-yl)benzaldehyde
PubChem CID12717443
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-(4-oxopiperidin-1-yl)benzaldehyde
SMILESO=Cc1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C12H13NO2/c14-9-10-1-3-11(4-2-10)13-7-5-12(15)6-8-13/h1-4,9H,5-8H2
InChIKeyISJNFUOQXDDVSG-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-oxopiperidin-1-yl)benzaldehyde?
The IUPAC name of 4-(4-oxopiperidin-1-yl)benzaldehyde (CID 12717443) is 4-(4-oxopiperidin-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-oxopiperidin-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-oxopiperidin-1-yl)benzaldehyde is O=Cc1ccc(N2CCC(=O)CC2)cc1.
What is the InChIKey of 4-(4-oxopiperidin-1-yl)benzaldehyde?
The InChIKey is ISJNFUOQXDDVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c14-9-10-1-3-11(4-2-10)13-7-5-12(15)6-8-13/h1-4,9H,5-8H2.
What are the key properties of 4-(4-oxopiperidin-1-yl)benzaldehyde?
4-(4-oxopiperidin-1-yl)benzaldehyde has a molecular weight of 203.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopiperidin-1-yl)benzaldehyde is sourced from PubChem (CID 12717443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).