2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline

C14H19F3N2O — CID 57448025

IUPAC2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline
SMILESCCN1CCC(c2cccc(OC(F)(F)F)c2N)CC1
InChIInChI=1S/C14H19F3N2O/c1-2-19-8-6-10(7-9-19)11-4-3-5-12(13(11)18)20-14(15,16)17/h3-5,10H,2,6-9,18H2,1H3
InChIKeyQVIHPKHUPFSLTQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.37
Rot. Bonds3

About 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline

2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline (PubChem CID 57448025) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline
PubChem CID57448025
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline
SMILESCCN1CCC(c2cccc(OC(F)(F)F)c2N)CC1
InChIInChI=1S/C14H19F3N2O/c1-2-19-8-6-10(7-9-19)11-4-3-5-12(13(11)18)20-14(15,16)17/h3-5,10H,2,6-9,18H2,1H3
InChIKeyQVIHPKHUPFSLTQ-UHFFFAOYSA-N
XLogP3.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.37
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-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline (CID 57448025) is 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline is CCN1CCC(c2cccc(OC(F)(F)F)c2N)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline?
The InChIKey is QVIHPKHUPFSLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-19-8-6-10(7-9-19)11-4-3-5-12(13(11)18)20-14(15,16)17/h3-5,10H,2,6-9,18H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline?
2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline has a molecular weight of 288.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-6-(trifluoromethoxy)aniline is sourced from PubChem (CID 57448025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).