3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline

C15H24N2O2 — CID 54985182

IUPAC3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
SMILESCCOC1CCCN(CCOc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O2/c1-2-18-15-7-4-8-17(12-15)9-10-19-14-6-3-5-13(16)11-14/h3,5-6,11,15H,2,4,7-10,12,16H2,1H3
InChIKeyZLFZFUMLWHGENT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.15
Rot. Bonds6

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

3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline (PubChem CID 54985182) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
PubChem CID54985182
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
SMILESCCOC1CCCN(CCOc2cccc(N)c2)C1
InChIInChI=1S/C15H24N2O2/c1-2-18-15-7-4-8-17(12-15)9-10-19-14-6-3-5-13(16)11-14/h3,5-6,11,15H,2,4,7-10,12,16H2,1H3
InChIKeyZLFZFUMLWHGENT-UHFFFAOYSA-N
XLogP2.15
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
3-[2-(3-methoxypiperidin-1-yl)ethoxy]benzenecarbothioamide
CID 102958115
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
4-(3-ethoxypiperidin-1-yl)-1-phenylbutan-1-amine
CID 63322069
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
3-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774777
ethyl (3S)-1-[2-(3-chlorophenoxy)ethyl]piperidine-3-carboxylate
CID 27186879
1-[2-(3-fluorophenoxy)ethyl]-N-methylpiperidin-3-amine
CID 119919442
3-[3-(2-ethylmorpholin-4-yl)propoxy]aniline
CID 43562250

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline (CID 54985182) is 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline is CCOC1CCCN(CCOc2cccc(N)c2)C1.
What is the InChIKey of 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline?
The InChIKey is ZLFZFUMLWHGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-18-15-7-4-8-17(12-15)9-10-19-14-6-3-5-13(16)11-14/h3,5-6,11,15H,2,4,7-10,12,16H2,1H3.
What are the key properties of 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline?
3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 54985182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).