3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline

C15H24N2O — CID 65350223

IUPAC3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
SMILESCCOC1CCN(CCc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2O/c1-2-18-15-7-10-17(11-8-15)9-6-13-4-3-5-14(16)12-13/h3-5,12,15H,2,6-11,16H2,1H3
InChIKeyOAOGZRKGCXZAIK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds5

About 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline

3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline (PubChem CID 65350223) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
PubChem CID65350223
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline
SMILESCCOC1CCN(CCc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N2O/c1-2-18-15-7-10-17(11-8-15)9-6-13-4-3-5-14(16)12-13/h3-5,12,15H,2,6-11,16H2,1H3
InChIKeyOAOGZRKGCXZAIK-UHFFFAOYSA-N
XLogP2.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-propylazepan-1-yl)ethyl]aniline
CID 65348196
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
3-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
N-[1-[2-(3-aminophenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 25110126
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
3-[2-(4-tert-butylpiperazin-1-yl)ethyl]aniline
CID 65349893
3-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 65349890
2-[3-(4-ethoxypiperidin-1-yl)propyl]aniline
CID 107274331
3-[2-(4-benzylpiperazin-1-yl)ethyl]aniline
CID 28720911
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
1-(3-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-amine
CID 62617221

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline?
The IUPAC name of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline (CID 65350223) is 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline is CCOC1CCN(CCc2cccc(N)c2)CC1.
What is the InChIKey of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline?
The InChIKey is OAOGZRKGCXZAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-18-15-7-10-17(11-8-15)9-6-13-4-3-5-14(16)12-13/h3-5,12,15H,2,6-11,16H2,1H3.
What are the key properties of 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline?
3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxypiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 65350223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).