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

C24H28F2N6O2 — CID 11363397

IUPAC1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2nnn(C(C)C3(c4ccc(F)cc4F)CO3)n2)CC1
InChIInChI=1S/C24H28F2N6O2/c1-17(24(16-34-24)19-8-7-18(25)15-20(19)26)32-28-23(27-29-32)9-10-30-11-13-31(14-12-30)21-5-3-4-6-22(21)33-2/h3-8,15,17H,9-14,16H2,1-2H3
InChIKeyGVQZVSNWEMQCKY-UHFFFAOYSA-N
MW470.52 g/mol
LogP2.81
Rot. Bonds8

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

1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 11363397) has the molecular formula C24H28F2N6O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine
PubChem CID11363397
Molecular FormulaC24H28F2N6O2
Molecular Weight470.52 g/mol
Exact Mass470.22
IUPAC Name1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCc2nnn(C(C)C3(c4ccc(F)cc4F)CO3)n2)CC1
InChIInChI=1S/C24H28F2N6O2/c1-17(24(16-34-24)19-8-7-18(25)15-20(19)26)32-28-23(27-29-32)9-10-30-11-13-31(14-12-30)21-5-3-4-6-22(21)33-2/h3-8,15,17H,9-14,16H2,1-2H3
InChIKeyGVQZVSNWEMQCKY-UHFFFAOYSA-N
XLogP2.81
TPSA71.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)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-[1-(1-Benzyl-1H-tetrazol-5-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 6603051
1-[(4-Fluoro-phenyl)-(1-isopropyl-1H-tetrazol-5-yl)-methyl]-4-(2-methoxy-phenyl)-piperazine
CID 648618
1-(2-Methoxyphenyl)-4-[(4-methylphenyl)-(1-propan-2-yl-5-tetrazolyl)methyl]piperazine
CID 653974
1-(2-Fluoro-phenyl)-4-[[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-(2-methoxy-phenyl)-methyl]-piperazine
CID 6603463
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
CID 53300960
1-[[1-(2-Methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]-4-phenylpiperazine
CID 646313
1-(2-Fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 651162
1-[1-(1-Benzyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 653501
1-[(4-Fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 3209297
1-[(4-Fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 3209298
1-(4-Fluorophenyl)-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 3209348
1-[(2-Fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 3209376

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine (CID 11363397) is 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCc2nnn(C(C)C3(c4ccc(F)cc4F)CO3)n2)CC1.
What is the InChIKey of 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is GVQZVSNWEMQCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O2/c1-17(24(16-34-24)19-8-7-18(25)15-20(19)26)32-28-23(27-29-32)9-10-30-11-13-31(14-12-30)21-5-3-4-6-22(21)33-2/h3-8,15,17H,9-14,16H2,1-2H3.
What are the key properties of 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine?
1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 470.52 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 11363397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).