3-piperidin-4-ylpropanal

C8H15NO — CID 19081880

IUPAC3-piperidin-4-ylpropanal
SMILESO=CCCC1CCNCC1
InChIInChI=1S/C8H15NO/c10-7-1-2-8-3-5-9-6-4-8/h7-9H,1-6H2
InChIKeyQFFQSKTUAWSTEQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.97
Rot. Bonds3

About 3-piperidin-4-ylpropanal

3-piperidin-4-ylpropanal (PubChem CID 19081880) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-piperidin-4-ylpropanal.

Molecular Properties

Compound Name3-piperidin-4-ylpropanal
PubChem CID19081880
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-piperidin-4-ylpropanal
SMILESO=CCCC1CCNCC1
InChIInChI=1S/C8H15NO/c10-7-1-2-8-3-5-9-6-4-8/h7-9H,1-6H2
InChIKeyQFFQSKTUAWSTEQ-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Piperidin-4-ylbutanal
CID 11840929
4-Piperidinecarboxaldehyde
CID 14495648
2-(Piperidin-4-yl)acetaldehyde
CID 23401441
(6R)-6-methylpiperidine-3-carbaldehyde
CID 163663202
3-(1-Fluoropiperidin-4-yl)propanal
CID 145353941
2,6-Dimethylpiperidine-4-carbaldehyde
CID 174775851
2-Fluoro-2-piperidin-3-ylacetaldehyde
CID 105428768
2-Fluoro-2-piperidin-4-ylacetaldehyde
CID 105428769
2-Fluoro-3-piperidin-3-ylpropanal
CID 105431224
2-Fluoro-3-piperidin-4-ylpropanal
CID 105431225
2,2-Difluoro-2-piperidin-3-ylacetaldehyde
CID 105432001
2,2-Difluoro-3-piperidin-3-ylpropanal
CID 105436769

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylpropanal?
The IUPAC name of 3-piperidin-4-ylpropanal (CID 19081880) is 3-piperidin-4-ylpropanal.
What is the SMILES notation for 3-piperidin-4-ylpropanal?
The canonical SMILES for 3-piperidin-4-ylpropanal is O=CCCC1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylpropanal?
The InChIKey is QFFQSKTUAWSTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c10-7-1-2-8-3-5-9-6-4-8/h7-9H,1-6H2.
What are the key properties of 3-piperidin-4-ylpropanal?
3-piperidin-4-ylpropanal has a molecular weight of 141.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylpropanal is sourced from PubChem (CID 19081880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).