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

C24H28F2N6O — CID 11396872

IUPAC1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(Cc2ccccc2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C24H28F2N6O/c1-18(24(17-33-24)21-8-7-20(25)15-22(21)26)32-23(27-28-29-32)9-10-30-11-13-31(14-12-30)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16-17H2,1H3
InChIKeyRKXRRDCGBXCLNG-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.80
Rot. Bonds8

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

1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine (PubChem CID 11396872) has the molecular formula C24H28F2N6O and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
PubChem CID11396872
Molecular FormulaC24H28F2N6O
Molecular Weight454.53 g/mol
Exact Mass454.23
IUPAC Name1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(Cc2ccccc2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C24H28F2N6O/c1-18(24(17-33-24)21-8-7-20(25)15-22(21)26)32-23(27-28-29-32)9-10-30-11-13-31(14-12-30)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16-17H2,1H3
InChIKeyRKXRRDCGBXCLNG-UHFFFAOYSA-N
XLogP2.80
TPSA62.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]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

4-(4-Fluoro-phenyl)-1-[1-(4-methyl-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-ol
CID 654324
[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethyl]-methyl-(1-methyl-1H-tetrazol-5-ylmethyl)-amine
CID 44368118
4-(2-Fluoro-phenyl)-1-[1-(4-methyl-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-ol
CID 644691
4-(2-Fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
CID 3228821
1-Benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 3209299
1-[(4-Fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 3209300
1-Benzyl-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 3209378
1-[(1-Benzyltetrazol-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol
CID 3228819
4-(4-Fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-ol
CID 3228822
1-(1-cyclopropyltetrazol-5-yl)-N-methyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]ethanamine
CID 132303203
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-[(1-methyltetrazol-5-yl)methyl]-2-phenylpiperidine
CID 18984622
2-Methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine
CID 23108318

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine (CID 11396872) is 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine is CC(n1nnnc1CCN1CCN(Cc2ccccc2)CC1)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The InChIKey is RKXRRDCGBXCLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O/c1-18(24(17-33-24)21-8-7-20(25)15-22(21)26)32-23(27-28-29-32)9-10-30-11-13-31(14-12-30)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16-17H2,1H3.
What are the key properties of 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine has a molecular weight of 454.53 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine is sourced from PubChem (CID 11396872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).