piperidine-3,4-dicarbaldehyde

C7H11NO2 — CID 162486555

IUPACpiperidine-3,4-dicarbaldehyde
SMILESO=CC1CCNCC1C=O
InChIInChI=1S/C7H11NO2/c9-4-6-1-2-8-3-7(6)5-10/h4-8H,1-3H2
InChIKeyJXNWISPNYNITRZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.39
Rot. Bonds2

About piperidine-3,4-dicarbaldehyde

piperidine-3,4-dicarbaldehyde (PubChem CID 162486555) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is piperidine-3,4-dicarbaldehyde.

Molecular Properties

Compound Namepiperidine-3,4-dicarbaldehyde
PubChem CID162486555
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namepiperidine-3,4-dicarbaldehyde
SMILESO=CC1CCNCC1C=O
InChIInChI=1S/C7H11NO2/c9-4-6-1-2-8-3-7(6)5-10/h4-8H,1-3H2
InChIKeyJXNWISPNYNITRZ-UHFFFAOYSA-N
XLogP-0.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
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 piperidine-3,4-dicarbaldehyde?
The IUPAC name of piperidine-3,4-dicarbaldehyde (CID 162486555) is piperidine-3,4-dicarbaldehyde.
What is the SMILES notation for piperidine-3,4-dicarbaldehyde?
The canonical SMILES for piperidine-3,4-dicarbaldehyde is O=CC1CCNCC1C=O.
What is the InChIKey of piperidine-3,4-dicarbaldehyde?
The InChIKey is JXNWISPNYNITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-4-6-1-2-8-3-7(6)5-10/h4-8H,1-3H2.
What are the key properties of piperidine-3,4-dicarbaldehyde?
piperidine-3,4-dicarbaldehyde has a molecular weight of 141.17 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3,4-dicarbaldehyde is sourced from PubChem (CID 162486555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).