1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde

C13H16N2O2 — CID 83128897

IUPAC1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde
SMILESCC(=O)c1ccc(N2CCCCC2C=O)cn1
InChIInChI=1S/C13H16N2O2/c1-10(17)13-6-5-11(8-14-13)15-7-3-2-4-12(15)9-16/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyZMBLUTHGUKGQIK-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.84
Rot. Bonds3

About 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde

1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde (PubChem CID 83128897) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde
PubChem CID83128897
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde
SMILESCC(=O)c1ccc(N2CCCCC2C=O)cn1
InChIInChI=1S/C13H16N2O2/c1-10(17)13-6-5-11(8-14-13)15-7-3-2-4-12(15)9-16/h5-6,8-9,12H,2-4,7H2,1H3
InChIKeyZMBLUTHGUKGQIK-UHFFFAOYSA-N
XLogP1.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.84
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 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde (CID 83128897) is 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde is CC(=O)c1ccc(N2CCCCC2C=O)cn1.
What is the InChIKey of 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde?
The InChIKey is ZMBLUTHGUKGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(17)13-6-5-11(8-14-13)15-7-3-2-4-12(15)9-16/h5-6,8-9,12H,2-4,7H2,1H3.
What are the key properties of 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde?
1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde has a molecular weight of 232.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-3-pyridinyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 83128897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).