3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline

C15H24N2O — CID 43365571

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
SMILESCC1CCCC(C)N1CCOc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-12-5-3-6-13(2)17(12)9-10-18-15-8-4-7-14(16)11-15/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3
InChIKeyJRZVENLPDBHEKC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.91
Rot. Bonds4

About 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline

3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline (PubChem CID 43365571) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
PubChem CID43365571
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
SMILESCC1CCCC(C)N1CCOc1cccc(N)c1
InChIInChI=1S/C15H24N2O/c1-12-5-3-6-13(2)17(12)9-10-18-15-8-4-7-14(16)11-15/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3
InChIKeyJRZVENLPDBHEKC-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propoxy]benzaldehyde
CID 99991988
3-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]butoxy]benzaldehyde
CID 99992136
1-[2-(3-aminophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114677878
3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethoxy]aniline
CID 43365585
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306
3-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethoxy]aniline
CID 102882779
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
3-[2-(3-ethoxypiperidin-1-yl)ethoxy]aniline
CID 54985182
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
1-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 56822381

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline (CID 43365571) is 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline is CC1CCCC(C)N1CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline?
The InChIKey is JRZVENLPDBHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-5-3-6-13(2)17(12)9-10-18-15-8-4-7-14(16)11-15/h4,7-8,11-13H,3,5-6,9-10,16H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline?
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline has a molecular weight of 248.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline is sourced from PubChem (CID 43365571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).