3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline

C15H24N2O — CID 80731205

IUPAC3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CCC(CC)CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-12-5-7-17(8-6-12)14-9-13(16)10-15(11-14)18-4-2/h9-12H,3-8,16H2,1-2H3
InChIKeyITXYTMRQPNSVEK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds4

About 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline

3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline (PubChem CID 80731205) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline
PubChem CID80731205
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline
SMILESCCOc1cc(N)cc(N2CCC(CC)CC2)c1
InChIInChI=1S/C15H24N2O/c1-3-12-5-7-17(8-6-12)14-9-13(16)10-15(11-14)18-4-2/h9-12H,3-8,16H2,1-2H3
InChIKeyITXYTMRQPNSVEK-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
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 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline?
The IUPAC name of 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline (CID 80731205) is 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline?
The canonical SMILES for 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline is CCOc1cc(N)cc(N2CCC(CC)CC2)c1.
What is the InChIKey of 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline?
The InChIKey is ITXYTMRQPNSVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12-5-7-17(8-6-12)14-9-13(16)10-15(11-14)18-4-2/h9-12H,3-8,16H2,1-2H3.
What are the key properties of 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline?
3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline has a molecular weight of 248.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline is sourced from PubChem (CID 80731205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).