2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde

C13H18N2O — CID 89480328

IUPAC2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde
SMILESCC1(c2ccccc2)CNCCN1CC=O
InChIInChI=1S/C13H18N2O/c1-13(12-5-3-2-4-6-12)11-14-7-8-15(13)9-10-16/h2-6,10,14H,7-9,11H2,1H3
InChIKeyXWLAAMZUVBVIOG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde

2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde (PubChem CID 89480328) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde
PubChem CID89480328
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde
SMILESCC1(c2ccccc2)CNCCN1CC=O
InChIInChI=1S/C13H18N2O/c1-13(12-5-3-2-4-6-12)11-14-7-8-15(13)9-10-16/h2-6,10,14H,7-9,11H2,1H3
InChIKeyXWLAAMZUVBVIOG-UHFFFAOYSA-N
XLogP1.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methyl-2-phenylpiperazin-1-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-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde?
The IUPAC name of 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde (CID 89480328) is 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde is CC1(c2ccccc2)CNCCN1CC=O.
What is the InChIKey of 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde?
The InChIKey is XWLAAMZUVBVIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(12-5-3-2-4-6-12)11-14-7-8-15(13)9-10-16/h2-6,10,14H,7-9,11H2,1H3.
What are the key properties of 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde?
2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde has a molecular weight of 218.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-phenylpiperazin-1-yl)acetaldehyde is sourced from PubChem (CID 89480328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).