2,6-dimethylpiperidine-4-carbaldehyde

C8H15NO — CID 174775851

IUPAC2,6-dimethylpiperidine-4-carbaldehyde
SMILESCC1CC(C=O)CC(C)N1
InChIInChI=1S/C8H15NO/c1-6-3-8(5-10)4-7(2)9-6/h5-9H,3-4H2,1-2H3
InChIKeyRQGRXBBPEQHBQG-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.96
Rot. Bonds1

About 2,6-dimethylpiperidine-4-carbaldehyde

2,6-dimethylpiperidine-4-carbaldehyde (PubChem CID 174775851) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,6-dimethylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethylpiperidine-4-carbaldehyde
PubChem CID174775851
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,6-dimethylpiperidine-4-carbaldehyde
SMILESCC1CC(C=O)CC(C)N1
InChIInChI=1S/C8H15NO/c1-6-3-8(5-10)4-7(2)9-6/h5-9H,3-4H2,1-2H3
InChIKeyRQGRXBBPEQHBQG-UHFFFAOYSA-N
XLogP0.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dimethylpiperidine-4-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 2,6-dimethylpiperidine-4-carbaldehyde?
The IUPAC name of 2,6-dimethylpiperidine-4-carbaldehyde (CID 174775851) is 2,6-dimethylpiperidine-4-carbaldehyde.
What is the SMILES notation for 2,6-dimethylpiperidine-4-carbaldehyde?
The canonical SMILES for 2,6-dimethylpiperidine-4-carbaldehyde is CC1CC(C=O)CC(C)N1.
What is the InChIKey of 2,6-dimethylpiperidine-4-carbaldehyde?
The InChIKey is RQGRXBBPEQHBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6-3-8(5-10)4-7(2)9-6/h5-9H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethylpiperidine-4-carbaldehyde?
2,6-dimethylpiperidine-4-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpiperidine-4-carbaldehyde is sourced from PubChem (CID 174775851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).