2-(1-decylpiperazin-2-yl)acetaldehyde

C16H32N2O — CID 54302249

IUPAC2-(1-decylpiperazin-2-yl)acetaldehyde
SMILESCCCCCCCCCCN1CCNCC1CC=O
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-12-18-13-11-17-15-16(18)10-14-19/h14,16-17H,2-13,15H2,1H3
InChIKeyGQIOKUAGPGWSRL-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.99
Rot. Bonds11

About 2-(1-decylpiperazin-2-yl)acetaldehyde

2-(1-decylpiperazin-2-yl)acetaldehyde (PubChem CID 54302249) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(1-decylpiperazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-decylpiperazin-2-yl)acetaldehyde
PubChem CID54302249
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(1-decylpiperazin-2-yl)acetaldehyde
SMILESCCCCCCCCCCN1CCNCC1CC=O
InChIInChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-12-18-13-11-17-15-16(18)10-14-19/h14,16-17H,2-13,15H2,1H3
InChIKeyGQIOKUAGPGWSRL-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-decylpiperazin-2-yl)acetaldehyde 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-(1-decylpiperazin-2-yl)acetaldehyde?
The IUPAC name of 2-(1-decylpiperazin-2-yl)acetaldehyde (CID 54302249) is 2-(1-decylpiperazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-decylpiperazin-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-decylpiperazin-2-yl)acetaldehyde is CCCCCCCCCCN1CCNCC1CC=O.
What is the InChIKey of 2-(1-decylpiperazin-2-yl)acetaldehyde?
The InChIKey is GQIOKUAGPGWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-2-3-4-5-6-7-8-9-12-18-13-11-17-15-16(18)10-14-19/h14,16-17H,2-13,15H2,1H3.
What are the key properties of 2-(1-decylpiperazin-2-yl)acetaldehyde?
2-(1-decylpiperazin-2-yl)acetaldehyde has a molecular weight of 268.44 g/mol, XLogP of 2.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-decylpiperazin-2-yl)acetaldehyde is sourced from PubChem (CID 54302249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).