1-ethylpiperidine-4-carbaldehyde

C8H15NO — CID 20613249

IUPAC1-ethylpiperidine-4-carbaldehyde
SMILESCCN1CCC(C=O)CC1
InChIInChI=1S/C8H15NO/c1-2-9-5-3-8(7-10)4-6-9/h7-8H,2-6H2,1H3
InChIKeyCJWYRHTUDJMLSU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.92
Rot. Bonds2

About 1-ethylpiperidine-4-carbaldehyde

1-ethylpiperidine-4-carbaldehyde (PubChem CID 20613249) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-ethylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-ethylpiperidine-4-carbaldehyde
PubChem CID20613249
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-ethylpiperidine-4-carbaldehyde
SMILESCCN1CCC(C=O)CC1
InChIInChI=1S/C8H15NO/c1-2-9-5-3-8(7-10)4-6-9/h7-8H,2-6H2,1H3
InChIKeyCJWYRHTUDJMLSU-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethylpiperidine-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 1-ethylpiperidine-4-carbaldehyde?
The IUPAC name of 1-ethylpiperidine-4-carbaldehyde (CID 20613249) is 1-ethylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-ethylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-ethylpiperidine-4-carbaldehyde is CCN1CCC(C=O)CC1.
What is the InChIKey of 1-ethylpiperidine-4-carbaldehyde?
The InChIKey is CJWYRHTUDJMLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-9-5-3-8(7-10)4-6-9/h7-8H,2-6H2,1H3.
What are the key properties of 1-ethylpiperidine-4-carbaldehyde?
1-ethylpiperidine-4-carbaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperidine-4-carbaldehyde is sourced from PubChem (CID 20613249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).