4-(1-ethylpiperidin-4-yl)butanal

C11H21NO — CID 87600165

IUPAC4-(1-ethylpiperidin-4-yl)butanal
SMILESCCN1CCC(CCCC=O)CC1
InChIInChI=1S/C11H21NO/c1-2-12-8-6-11(7-9-12)5-3-4-10-13/h10-11H,2-9H2,1H3
InChIKeyVGJVFZSSOISJMM-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds5

About 4-(1-ethylpiperidin-4-yl)butanal

4-(1-ethylpiperidin-4-yl)butanal (PubChem CID 87600165) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)butanal.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)butanal
PubChem CID87600165
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(1-ethylpiperidin-4-yl)butanal
SMILESCCN1CCC(CCCC=O)CC1
InChIInChI=1S/C11H21NO/c1-2-12-8-6-11(7-9-12)5-3-4-10-13/h10-11H,2-9H2,1H3
InChIKeyVGJVFZSSOISJMM-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-ethylpiperidin-4-yl)butanal 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 4-(1-ethylpiperidin-4-yl)butanal?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)butanal (CID 87600165) is 4-(1-ethylpiperidin-4-yl)butanal.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)butanal?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)butanal is CCN1CCC(CCCC=O)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)butanal?
The InChIKey is VGJVFZSSOISJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-12-8-6-11(7-9-12)5-3-4-10-13/h10-11H,2-9H2,1H3.
What are the key properties of 4-(1-ethylpiperidin-4-yl)butanal?
4-(1-ethylpiperidin-4-yl)butanal has a molecular weight of 183.29 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)butanal is sourced from PubChem (CID 87600165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).