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

C18H23F3N4O — CID 90845724

IUPAC1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine
SMILESCCc1nccn1CCOc1cccc(N2CCN(C(F)(F)F)CC2)c1
InChIInChI=1S/C18H23F3N4O/c1-2-17-22-6-7-24(17)12-13-26-16-5-3-4-15(14-16)23-8-10-25(11-9-23)18(19,20)21/h3-7,14H,2,8-13H2,1H3
InChIKeyDRVDZLUGRLKOTQ-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.17
Rot. Bonds6

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

1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine (PubChem CID 90845724) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine
PubChem CID90845724
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine
SMILESCCc1nccn1CCOc1cccc(N2CCN(C(F)(F)F)CC2)c1
InChIInChI=1S/C18H23F3N4O/c1-2-17-22-6-7-24(17)12-13-26-16-5-3-4-15(14-16)23-8-10-25(11-9-23)18(19,20)21/h3-7,14H,2,8-13H2,1H3
InChIKeyDRVDZLUGRLKOTQ-UHFFFAOYSA-N
XLogP3.17
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine (CID 90845724) is 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine is CCc1nccn1CCOc1cccc(N2CCN(C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine?
The InChIKey is DRVDZLUGRLKOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-2-17-22-6-7-24(17)12-13-26-16-5-3-4-15(14-16)23-8-10-25(11-9-23)18(19,20)21/h3-7,14H,2,8-13H2,1H3.
What are the key properties of 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine?
1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine has a molecular weight of 368.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-ethylimidazol-1-yl)ethoxy]phenyl]-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 90845724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).