1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C20H17Cl2F3N6 — CID 6261307

IUPAC1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(/C=C/c3nnnn3-c3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H17Cl2F3N6/c21-17-5-4-16(13-18(17)22)31-19(26-27-28-31)6-7-29-8-10-30(11-9-29)15-3-1-2-14(12-15)20(23,24)25/h1-7,12-13H,8-11H2/b7-6+
InChIKeyRUJIREQEFSOPLB-VOTSOKGWSA-N
MW469.30 g/mol
LogP4.78
Rot. Bonds4

About 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 6261307) has the molecular formula C20H17Cl2F3N6 and a molecular weight of 469.30 g/mol. Its IUPAC name is 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID6261307
Molecular FormulaC20H17Cl2F3N6
Molecular Weight469.30 g/mol
Exact Mass468.08
IUPAC Name1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cccc(N2CCN(/C=C/c3nnnn3-c3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C20H17Cl2F3N6/c21-17-5-4-16(13-18(17)22)31-19(26-27-28-31)6-7-29-8-10-30(11-9-29)15-3-1-2-14(12-15)20(23,24)25/h1-7,12-13H,8-11H2/b7-6+
InChIKeyRUJIREQEFSOPLB-VOTSOKGWSA-N
XLogP4.78
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 92909735
1-[(E)-2-(1-phenyltetrazol-5-yl)ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7225538
1-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 7201534
5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
4-(3,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 19654664
(3R)-1-(3,4-dichlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1014242
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
(E)-3-[1-(3,4-dichlorophenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366486
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
1-(4-bromophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 169336754
1-(2,4,5-trichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3286417
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 6261307) is 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cccc(N2CCN(/C=C/c3nnnn3-c3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is RUJIREQEFSOPLB-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H17Cl2F3N6/c21-17-5-4-16(13-18(17)22)31-19(26-27-28-31)6-7-29-8-10-30(11-9-29)15-3-1-2-14(12-15)20(23,24)25/h1-7,12-13H,8-11H2/b7-6+.
What are the key properties of 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 469.30 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[1-(3,4-dichlorophenyl)tetrazol-5-yl]ethenyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 6261307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).