3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline

C14H19F3N2O — CID 21049547

IUPAC3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(OCCN2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-8-12(18)10-13(9-11)20-7-6-19-4-2-1-3-5-19/h8-10H,1-7,18H2
InChIKeyWUDAUZIEUSZZHC-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.15
Rot. Bonds4

About 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline

3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline (PubChem CID 21049547) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline
PubChem CID21049547
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(OCCN2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)11-8-12(18)10-13(9-11)20-7-6-19-4-2-1-3-5-19/h8-10H,1-7,18H2
InChIKeyWUDAUZIEUSZZHC-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline (CID 21049547) is 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline is Nc1cc(OCCN2CCCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline?
The InChIKey is WUDAUZIEUSZZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)11-8-12(18)10-13(9-11)20-7-6-19-4-2-1-3-5-19/h8-10H,1-7,18H2.
What are the key properties of 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline?
3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline has a molecular weight of 288.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-1-ylethoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 21049547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).