piperidine-3-carbaldehyde

C6H11NO — CID 15836779

IUPACpiperidine-3-carbaldehyde
SMILESO=CC1CCCNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h5-7H,1-4H2
InChIKeyGPRQUTDXGQDKEQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.18
Rot. Bonds1

About piperidine-3-carbaldehyde

piperidine-3-carbaldehyde (PubChem CID 15836779) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is piperidine-3-carbaldehyde.

Molecular Properties

Compound Namepiperidine-3-carbaldehyde
PubChem CID15836779
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Namepiperidine-3-carbaldehyde
SMILESO=CC1CCCNC1
InChIInChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h5-7H,1-4H2
InChIKeyGPRQUTDXGQDKEQ-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze piperidine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperidine-3-carbaldehyde?
The IUPAC name of piperidine-3-carbaldehyde (CID 15836779) is piperidine-3-carbaldehyde.
What is the SMILES notation for piperidine-3-carbaldehyde?
The canonical SMILES for piperidine-3-carbaldehyde is O=CC1CCCNC1.
What is the InChIKey of piperidine-3-carbaldehyde?
The InChIKey is GPRQUTDXGQDKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c8-5-6-2-1-3-7-4-6/h5-7H,1-4H2.
What are the key properties of piperidine-3-carbaldehyde?
piperidine-3-carbaldehyde has a molecular weight of 113.16 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3-carbaldehyde is sourced from PubChem (CID 15836779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).