1-(2-(3-Iodo-4-azidophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazine

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Basic information

CAS: 118249-08-4
Standard SMILES: [N-]=[N+]=Nc1ccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1I
InChIKey: DGGQFCKCVDYJDO-UHFFFAOYSA-N
Molecular formula: C19H19F3IN5
Average molar mass: 501.3 g/mol
Monoisotopic mass: 501.06373

Overview

RN & structure given in first source

Names & identifiers

Preferred name: 1-(2-(3-Iodo-4-azidophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazine
IUPAC: 1-[2-(4-azido-3-iodophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
English name: 1-(2-(3-iodo-4-azidophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazine
Molecular weight: 0

Names & synonyms

Azido-ipapp118249-08-41-(2-(3-Iodo-4-azidophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazineDTXSID60152059RefChem:74031DTXCID00745501-[2-(4-azido-3-iodophenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazineNSC628236CHEMBL155615Piperazine, 1-(2-(4-azido-3-iodophenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)-BDBM50020578NSC-628236

Show more names

NCI60_0090801-[2-(4-Azido-3-iodo-phenyl)-ethyl]-4-(3-trifluoromethyl-phenyl)-piperazine1-[2-(4-azido-3-iodo-phenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine1-(2-(3-Iodo-4-(2.lambda.~5~-1,2-triazadienyl)phenyl)ethyl)-4-(3-(trifluoromethyl)phenyl)piperazine

Database identifiers

CAS: 118249-08-4
PubChem CID: 363353
DTXSID: DTXSID60152059
ChEMBL: CHEMBL155615

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 20.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 546

Experimental & physicochemical properties

LogP3.33

Related reactions

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Compound notes

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