2-(4-methylpiperidin-4-yl)acetaldehyde

C8H15NO — CID 59311929

IUPAC2-(4-methylpiperidin-4-yl)acetaldehyde
SMILESCC1(CC=O)CCNCC1
InChIInChI=1S/C8H15NO/c1-8(4-7-10)2-5-9-6-3-8/h7,9H,2-6H2,1H3
InChIKeyLJQCPLPIFAQMSC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.97
Rot. Bonds2

About 2-(4-methylpiperidin-4-yl)acetaldehyde

2-(4-methylpiperidin-4-yl)acetaldehyde (PubChem CID 59311929) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-(4-methylpiperidin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methylpiperidin-4-yl)acetaldehyde
PubChem CID59311929
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-(4-methylpiperidin-4-yl)acetaldehyde
SMILESCC1(CC=O)CCNCC1
InChIInChI=1S/C8H15NO/c1-8(4-7-10)2-5-9-6-3-8/h7,9H,2-6H2,1H3
InChIKeyLJQCPLPIFAQMSC-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylpiperidin-4-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-(4-methylpiperidin-4-yl)acetaldehyde?
The IUPAC name of 2-(4-methylpiperidin-4-yl)acetaldehyde (CID 59311929) is 2-(4-methylpiperidin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methylpiperidin-4-yl)acetaldehyde?
The canonical SMILES for 2-(4-methylpiperidin-4-yl)acetaldehyde is CC1(CC=O)CCNCC1.
What is the InChIKey of 2-(4-methylpiperidin-4-yl)acetaldehyde?
The InChIKey is LJQCPLPIFAQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(4-7-10)2-5-9-6-3-8/h7,9H,2-6H2,1H3.
What are the key properties of 2-(4-methylpiperidin-4-yl)acetaldehyde?
2-(4-methylpiperidin-4-yl)acetaldehyde has a molecular weight of 141.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-4-yl)acetaldehyde is sourced from PubChem (CID 59311929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).