4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine

C19H24F3N3O — CID 91275882

IUPAC4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine
SMILESCCc1nccn1CCOc1cccc(C2CCN(C(F)(F)F)CC2)c1
InChIInChI=1S/C19H24F3N3O/c1-2-18-23-8-11-24(18)12-13-26-17-5-3-4-16(14-17)15-6-9-25(10-7-15)19(20,21)22/h3-5,8,11,14-15H,2,6-7,9-10,12-13H2,1H3
InChIKeyWHPVKCIAHJWFFE-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.22
Rot. Bonds6

About 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine

4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine (PubChem CID 91275882) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine
PubChem CID91275882
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine
SMILESCCc1nccn1CCOc1cccc(C2CCN(C(F)(F)F)CC2)c1
InChIInChI=1S/C19H24F3N3O/c1-2-18-23-8-11-24(18)12-13-26-17-5-3-4-16(14-17)15-6-9-25(10-7-15)19(20,21)22/h3-5,8,11,14-15H,2,6-7,9-10,12-13H2,1H3
InChIKeyWHPVKCIAHJWFFE-UHFFFAOYSA-N
XLogP4.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine?
The IUPAC name of 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine (CID 91275882) is 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine.
What is the SMILES notation for 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine?
The canonical SMILES for 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine is CCc1nccn1CCOc1cccc(C2CCN(C(F)(F)F)CC2)c1.
What is the InChIKey of 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine?
The InChIKey is WHPVKCIAHJWFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-2-18-23-8-11-24(18)12-13-26-17-5-3-4-16(14-17)15-6-9-25(10-7-15)19(20,21)22/h3-5,8,11,14-15H,2,6-7,9-10,12-13H2,1H3.
What are the key properties of 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine?
4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine has a molecular weight of 367.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-1-(trifluoromethyl)piperidine is sourced from PubChem (CID 91275882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).