4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane

C26H42N2O — CID 162525574

IUPAC4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane
SMILESCCC1(C)CC2CC(C)(C)CC(c3ccccc3)(C2)C1.NC1CCN(C=O)CC1
InChIInChI=1S/C20H30.C6H12N2O/c1-5-19(4)12-16-11-18(2,3)14-20(13-16,15-19)17-9-7-6-8-10-17;7-6-1-3-8(5-9)4-2-6/h6-10,16H,5,11-15H2,1-4H3;5-6H,1-4,7H2
InChIKeyDLMZULWOQXGVMX-UHFFFAOYSA-N
MW398.64 g/mol
LogP5.53
Rot. Bonds3

About 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane

4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane (PubChem CID 162525574) has the molecular formula C26H42N2O and a molecular weight of 398.64 g/mol. Its IUPAC name is 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane
PubChem CID162525574
Molecular FormulaC26H42N2O
Molecular Weight398.64 g/mol
Exact Mass398.33
IUPAC Name4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane
SMILESCCC1(C)CC2CC(C)(C)CC(c3ccccc3)(C2)C1.NC1CCN(C=O)CC1
InChIInChI=1S/C20H30.C6H12N2O/c1-5-19(4)12-16-11-18(2,3)14-20(13-16,15-19)17-9-7-6-8-10-17;7-6-1-3-8(5-9)4-2-6/h6-10,16H,5,11-15H2,1-4H3;5-6H,1-4,7H2
InChIKeyDLMZULWOQXGVMX-UHFFFAOYSA-N
XLogP5.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.64
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane 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-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane?
The IUPAC name of 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane (CID 162525574) is 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane.
What is the SMILES notation for 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane?
The canonical SMILES for 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane is CCC1(C)CC2CC(C)(C)CC(c3ccccc3)(C2)C1.NC1CCN(C=O)CC1.
What is the InChIKey of 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane?
The InChIKey is DLMZULWOQXGVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30.C6H12N2O/c1-5-19(4)12-16-11-18(2,3)14-20(13-16,15-19)17-9-7-6-8-10-17;7-6-1-3-8(5-9)4-2-6/h6-10,16H,5,11-15H2,1-4H3;5-6H,1-4,7H2.
What are the key properties of 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane?
4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane has a molecular weight of 398.64 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-1-carbaldehyde;3-ethyl-3,7,7-trimethyl-1-phenylbicyclo[3.3.1]nonane is sourced from PubChem (CID 162525574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).