piperidine-1,3-dicarbaldehyde

C7H11NO2 — CID 143116896

IUPACpiperidine-1,3-dicarbaldehyde
SMILESO=CC1CCCN(C=O)C1
InChIInChI=1S/C7H11NO2/c9-5-7-2-1-3-8(4-7)6-10/h5-7H,1-4H2
InChIKeyQQSPGFVVIUEESO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.05
Rot. Bonds2

About piperidine-1,3-dicarbaldehyde

piperidine-1,3-dicarbaldehyde (PubChem CID 143116896) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is piperidine-1,3-dicarbaldehyde.

Molecular Properties

Compound Namepiperidine-1,3-dicarbaldehyde
PubChem CID143116896
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namepiperidine-1,3-dicarbaldehyde
SMILESO=CC1CCCN(C=O)C1
InChIInChI=1S/C7H11NO2/c9-5-7-2-1-3-8(4-7)6-10/h5-7H,1-4H2
InChIKeyQQSPGFVVIUEESO-UHFFFAOYSA-N
XLogP0.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-1,3-dicarbaldehyde?
The IUPAC name of piperidine-1,3-dicarbaldehyde (CID 143116896) is piperidine-1,3-dicarbaldehyde.
What is the SMILES notation for piperidine-1,3-dicarbaldehyde?
The canonical SMILES for piperidine-1,3-dicarbaldehyde is O=CC1CCCN(C=O)C1.
What is the InChIKey of piperidine-1,3-dicarbaldehyde?
The InChIKey is QQSPGFVVIUEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-7-2-1-3-8(4-7)6-10/h5-7H,1-4H2.
What are the key properties of piperidine-1,3-dicarbaldehyde?
piperidine-1,3-dicarbaldehyde has a molecular weight of 141.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1,3-dicarbaldehyde is sourced from PubChem (CID 143116896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).