1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C24H25F5N6O — CID 11306753

IUPAC1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C24H25F5N6O/c1-16(23(15-36-23)20-6-5-18(25)14-21(20)26)35-22(30-31-32-35)7-8-33-9-11-34(12-10-33)19-4-2-3-17(13-19)24(27,28)29/h2-6,13-14,16H,7-12,15H2,1H3
InChIKeyIHGSFPHIFMXIHL-UHFFFAOYSA-N
MW508.50 g/mol
LogP3.82
Rot. Bonds7

About 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 11306753) has the molecular formula C24H25F5N6O and a molecular weight of 508.50 g/mol. Its IUPAC name is 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID11306753
Molecular FormulaC24H25F5N6O
Molecular Weight508.50 g/mol
Exact Mass508.20
IUPAC Name1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C24H25F5N6O/c1-16(23(15-36-23)20-6-5-18(25)14-21(20)26)35-22(30-31-32-35)7-8-33-9-11-34(12-10-33)19-4-2-3-17(13-19)24(27,28)29/h2-6,13-14,16H,7-12,15H2,1H3
InChIKeyIHGSFPHIFMXIHL-UHFFFAOYSA-N
XLogP3.82
TPSA62.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.50
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Fluoro-phenyl)-4-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(2-methoxy-phenyl)-methyl]-piperazine
CID 6603463
1-(2-Fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 651162
1-(4-Fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 3209348
1-[[1-(2-Methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 44753208
[2S,3S]-1-(4-azidobut-2-yn-1-yl)-2-phenyl-3-[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenylmethoxy]piperidine
CID 57171522
(2R,3R)-2-[(S)-ethoxy-[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
CID 67633502
(2S,3S)-N-[dideuteriomethoxy-[2-fluoro-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
CID 141613743
1-[(4-Fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209292
1-[[1-(2-Methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209324
1-[(2-Fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3209368
1-(2-Fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3229289
1-(4-Fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 3229291

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 11306753) is 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is CC(n1nnnc1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is IHGSFPHIFMXIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F5N6O/c1-16(23(15-36-23)20-6-5-18(25)14-21(20)26)35-22(30-31-32-35)7-8-33-9-11-34(12-10-33)19-4-2-3-17(13-19)24(27,28)29/h2-6,13-14,16H,7-12,15H2,1H3.
What are the key properties of 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 508.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 11306753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).