4-(2-aminophenyl)piperidine-4-carbaldehyde

C12H16N2O — CID 88578816

IUPAC4-(2-aminophenyl)piperidine-4-carbaldehyde
SMILESNc1ccccc1C1(C=O)CCNCC1
InChIInChI=1S/C12H16N2O/c13-11-4-2-1-3-10(11)12(9-15)5-7-14-8-6-12/h1-4,9,14H,5-8,13H2
InChIKeyPAMAHUYQCCWEPK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.09
Rot. Bonds2

About 4-(2-aminophenyl)piperidine-4-carbaldehyde

4-(2-aminophenyl)piperidine-4-carbaldehyde (PubChem CID 88578816) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(2-aminophenyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name4-(2-aminophenyl)piperidine-4-carbaldehyde
PubChem CID88578816
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-(2-aminophenyl)piperidine-4-carbaldehyde
SMILESNc1ccccc1C1(C=O)CCNCC1
InChIInChI=1S/C12H16N2O/c13-11-4-2-1-3-10(11)12(9-15)5-7-14-8-6-12/h1-4,9,14H,5-8,13H2
InChIKeyPAMAHUYQCCWEPK-UHFFFAOYSA-N
XLogP1.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-aminophenyl)piperidine-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 4-(2-aminophenyl)piperidine-4-carbaldehyde?
The IUPAC name of 4-(2-aminophenyl)piperidine-4-carbaldehyde (CID 88578816) is 4-(2-aminophenyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 4-(2-aminophenyl)piperidine-4-carbaldehyde?
The canonical SMILES for 4-(2-aminophenyl)piperidine-4-carbaldehyde is Nc1ccccc1C1(C=O)CCNCC1.
What is the InChIKey of 4-(2-aminophenyl)piperidine-4-carbaldehyde?
The InChIKey is PAMAHUYQCCWEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-4-2-1-3-10(11)12(9-15)5-7-14-8-6-12/h1-4,9,14H,5-8,13H2.
What are the key properties of 4-(2-aminophenyl)piperidine-4-carbaldehyde?
4-(2-aminophenyl)piperidine-4-carbaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 88578816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).