2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline

C14H19F3N2O — CID 19627089

IUPAC2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline
SMILESCCN1CCCC(Oc2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C14H19F3N2O/c1-2-19-7-3-4-11(9-19)20-13-6-5-10(8-12(13)18)14(15,16)17/h5-6,8,11H,2-4,7,9,18H2,1H3
InChIKeyKCYOPUSNECEHKZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.15
Rot. Bonds3

About 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline

2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline (PubChem CID 19627089) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline
PubChem CID19627089
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline
SMILESCCN1CCCC(Oc2ccc(C(F)(F)F)cc2N)C1
InChIInChI=1S/C14H19F3N2O/c1-2-19-7-3-4-11(9-19)20-13-6-5-10(8-12(13)18)14(15,16)17/h5-6,8,11H,2-4,7,9,18H2,1H3
InChIKeyKCYOPUSNECEHKZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-3-yl)oxy-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline (CID 19627089) is 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline is CCN1CCCC(Oc2ccc(C(F)(F)F)cc2N)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline?
The InChIKey is KCYOPUSNECEHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-19-7-3-4-11(9-19)20-13-6-5-10(8-12(13)18)14(15,16)17/h5-6,8,11H,2-4,7,9,18H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline?
2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline has a molecular weight of 288.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)oxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 19627089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).