2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline

C15H24N2O — CID 114281233

IUPAC2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
SMILESCCOC1CCN(c2cc(C)c(C)cc2N)CC1
InChIInChI=1S/C15H24N2O/c1-4-18-13-5-7-17(8-6-13)15-10-12(3)11(2)9-14(15)16/h9-10,13H,4-8,16H2,1-3H3
InChIKeyCAHFEVAJXOORPT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.89
Rot. Bonds3

About 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline

2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline (PubChem CID 114281233) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
PubChem CID114281233
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline
SMILESCCOC1CCN(c2cc(C)c(C)cc2N)CC1
InChIInChI=1S/C15H24N2O/c1-4-18-13-5-7-17(8-6-13)15-10-12(3)11(2)9-14(15)16/h9-10,13H,4-8,16H2,1-3H3
InChIKeyCAHFEVAJXOORPT-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline (CID 114281233) is 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline is CCOC1CCN(c2cc(C)c(C)cc2N)CC1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline?
The InChIKey is CAHFEVAJXOORPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-13-5-7-17(8-6-13)15-10-12(3)11(2)9-14(15)16/h9-10,13H,4-8,16H2,1-3H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline?
2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline has a molecular weight of 248.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypiperidin-1-yl)-4,5-dimethylaniline is sourced from PubChem (CID 114281233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).