2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline

C15H19F3N2 — CID 11594390

IUPAC2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline
SMILESC=CCN1CCC(c2cccc(C(F)(F)F)c2N)CC1
InChIInChI=1S/C15H19F3N2/c1-2-8-20-9-6-11(7-10-20)12-4-3-5-13(14(12)19)15(16,17)18/h2-5,11H,1,6-10,19H2
InChIKeyKRXJWCJNYKPYEY-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.65
Rot. Bonds3

About 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline

2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline (PubChem CID 11594390) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline
PubChem CID11594390
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline
SMILESC=CCN1CCC(c2cccc(C(F)(F)F)c2N)CC1
InChIInChI=1S/C15H19F3N2/c1-2-8-20-9-6-11(7-10-20)12-4-3-5-13(14(12)19)15(16,17)18/h2-5,11H,1,6-10,19H2
InChIKeyKRXJWCJNYKPYEY-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline?
The IUPAC name of 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline (CID 11594390) is 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline is C=CCN1CCC(c2cccc(C(F)(F)F)c2N)CC1.
What is the InChIKey of 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline?
The InChIKey is KRXJWCJNYKPYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-2-8-20-9-6-11(7-10-20)12-4-3-5-13(14(12)19)15(16,17)18/h2-5,11H,1,6-10,19H2.
What are the key properties of 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline?
2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline has a molecular weight of 284.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-2-enylpiperidin-4-yl)-6-(trifluoromethyl)aniline is sourced from PubChem (CID 11594390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).