1-(3-oxopropyl)piperidine-2-carbaldehyde

C9H15NO2 — CID 57244606

IUPAC1-(3-oxopropyl)piperidine-2-carbaldehyde
SMILESO=CCCN1CCCCC1C=O
InChIInChI=1S/C9H15NO2/c11-7-3-6-10-5-2-1-4-9(10)8-12/h7-9H,1-6H2
InChIKeyMSQDJBJOJXBADY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.63
Rot. Bonds4

About 1-(3-oxopropyl)piperidine-2-carbaldehyde

1-(3-oxopropyl)piperidine-2-carbaldehyde (PubChem CID 57244606) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3-oxopropyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-oxopropyl)piperidine-2-carbaldehyde
PubChem CID57244606
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3-oxopropyl)piperidine-2-carbaldehyde
SMILESO=CCCN1CCCCC1C=O
InChIInChI=1S/C9H15NO2/c11-7-3-6-10-5-2-1-4-9(10)8-12/h7-9H,1-6H2
InChIKeyMSQDJBJOJXBADY-UHFFFAOYSA-N
XLogP0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.63
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 1-(3-oxopropyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(3-oxopropyl)piperidine-2-carbaldehyde (CID 57244606) is 1-(3-oxopropyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(3-oxopropyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(3-oxopropyl)piperidine-2-carbaldehyde is O=CCCN1CCCCC1C=O.
What is the InChIKey of 1-(3-oxopropyl)piperidine-2-carbaldehyde?
The InChIKey is MSQDJBJOJXBADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-7-3-6-10-5-2-1-4-9(10)8-12/h7-9H,1-6H2.
What are the key properties of 1-(3-oxopropyl)piperidine-2-carbaldehyde?
1-(3-oxopropyl)piperidine-2-carbaldehyde has a molecular weight of 169.22 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopropyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 57244606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).