piperidine-2-carbaldehyde

C6H11NO — CID 10996990

IUPACpiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1
InChIInChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h5-7H,1-4H2
InChIKeyXHLCYFVJQKWNRH-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.33
Rot. Bonds1

About piperidine-2-carbaldehyde

piperidine-2-carbaldehyde (PubChem CID 10996990) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is piperidine-2-carbaldehyde.

Molecular Properties

Compound Namepiperidine-2-carbaldehyde
PubChem CID10996990
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Namepiperidine-2-carbaldehyde
SMILESO=CC1CCCCN1
InChIInChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h5-7H,1-4H2
InChIKeyXHLCYFVJQKWNRH-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
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-2-carbaldehyde?
The IUPAC name of piperidine-2-carbaldehyde (CID 10996990) is piperidine-2-carbaldehyde.
What is the SMILES notation for piperidine-2-carbaldehyde?
The canonical SMILES for piperidine-2-carbaldehyde is O=CC1CCCCN1.
What is the InChIKey of piperidine-2-carbaldehyde?
The InChIKey is XHLCYFVJQKWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-6-3-1-2-4-7-6/h5-7H,1-4H2.
What are the key properties of piperidine-2-carbaldehyde?
piperidine-2-carbaldehyde has a molecular weight of 113.16 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2-carbaldehyde is sourced from PubChem (CID 10996990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).