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

C23H25F2N7O3 — CID 11397587

IUPAC1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine
SMILESCC(n1nnnc1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C23H25F2N7O3/c1-16(23(15-35-23)20-7-2-17(24)14-21(20)25)31-22(26-27-28-31)8-9-29-10-12-30(13-11-29)18-3-5-19(6-4-18)32(33)34/h2-7,14,16H,8-13,15H2,1H3
InChIKeyRPIOHLVWXCJSAP-UHFFFAOYSA-N
MW485.50 g/mol
LogP2.71
Rot. Bonds8

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

1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine (PubChem CID 11397587) has the molecular formula C23H25F2N7O3 and a molecular weight of 485.50 g/mol. Its IUPAC name is 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine
PubChem CID11397587
Molecular FormulaC23H25F2N7O3
Molecular Weight485.50 g/mol
Exact Mass485.20
IUPAC Name1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine
SMILESCC(n1nnnc1CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C23H25F2N7O3/c1-16(23(15-35-23)20-7-2-17(24)14-21(20)25)31-22(26-27-28-31)8-9-29-10-12-30(13-11-29)18-3-5-19(6-4-18)32(33)34/h2-7,14,16H,8-13,15H2,1H3
InChIKeyRPIOHLVWXCJSAP-UHFFFAOYSA-N
XLogP2.71
TPSA105.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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-(4-nitrophenyl)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

(2R,3S)-2-(2,4-difluorophenyl)-3-[5-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]tetrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 3007892
2-(2,4-Difluorophenyl)-3-[5-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]tetrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11410292
1-[2-[2-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-fluorophenyl)piperazine
CID 11178603
1-(4-Chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11213658
1-[2-[1-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-phenylpiperazine
CID 11236021
1-(2-Butoxyphenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11237590
1-[2-[1-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-methoxyphenyl)piperazine
CID 11259953
1-[2-[1-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 11306753
1-(3-Chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11385970
1-Benzyl-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11396872
1-[2-[2-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine
CID 11397586
1-(2,4-Dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11398095

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-(4-nitrophenyl)piperazine?
The IUPAC name of 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine (CID 11397587) is 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine.
What is the SMILES notation for 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine?
The canonical SMILES for 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine is CC(n1nnnc1CCN1CCN(c2ccc([N+](=O)[O-])cc2)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-(4-nitrophenyl)piperazine?
The InChIKey is RPIOHLVWXCJSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O3/c1-16(23(15-35-23)20-7-2-17(24)14-21(20)25)31-22(26-27-28-31)8-9-29-10-12-30(13-11-29)18-3-5-19(6-4-18)32(33)34/h2-7,14,16H,8-13,15H2,1H3.
What are the key properties of 1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine?
1-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine has a molecular weight of 485.50 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 9 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-(4-nitrophenyl)piperazine is sourced from PubChem (CID 11397587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).