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

C23H25ClF2N6O — CID 11213658

IUPAC1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(c2ccc(Cl)cc2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C23H25ClF2N6O/c1-16(23(15-33-23)20-7-4-18(25)14-21(20)26)32-22(27-28-29-32)8-9-30-10-12-31(13-11-30)19-5-2-17(24)3-6-19/h2-7,14,16H,8-13,15H2,1H3
InChIKeyDTUFPGCPVBXPIT-UHFFFAOYSA-N
MW474.94 g/mol
LogP3.46
Rot. Bonds7

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

1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine (PubChem CID 11213658) has the molecular formula C23H25ClF2N6O and a molecular weight of 474.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
PubChem CID11213658
Molecular FormulaC23H25ClF2N6O
Molecular Weight474.94 g/mol
Exact Mass474.17
IUPAC Name1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(c2ccc(Cl)cc2)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C23H25ClF2N6O/c1-16(23(15-33-23)20-7-4-18(25)14-21(20)26)32-22(27-28-29-32)8-9-30-10-12-31(13-11-30)19-5-2-17(24)3-6-19/h2-7,14,16H,8-13,15H2,1H3
InChIKeyDTUFPGCPVBXPIT-UHFFFAOYSA-N
XLogP3.46
TPSA62.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-3-[5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]tetrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 3007896
3-[5-[2-[4-(4-Chlorophenyl)piperazin-1-yl]ethyl]tetrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11226539
1-[(4-Chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(4-fluorophenyl)piperazine
CID 3209308
1-(3-Chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 3209370
1-[(2-Chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 3209387
tert-butyl 4-[1-[[(4S)-3-(4-chlorophenyl)-4-(3,5-difluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]tetrazol-5-yl]piperidine-1-carboxylate
CID 59485851
1-[(4-Chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 3869850
1-[2-[2-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-fluorophenyl)piperazine
CID 11178603
1-(3-Chlorophenyl)-4-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11190696
1-(4-Chlorophenyl)-4-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11213657
1-[2-[1-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-phenylpiperazine
CID 11236021
1-(2-Chlorophenyl)-4-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11248515

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine (CID 11213658) is 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine is CC(n1nnnc1CCN1CCN(c2ccc(Cl)cc2)CC1)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The InChIKey is DTUFPGCPVBXPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N6O/c1-16(23(15-33-23)20-7-4-18(25)14-21(20)26)32-22(27-28-29-32)8-9-30-10-12-31(13-11-30)19-5-2-17(24)3-6-19/h2-7,14,16H,8-13,15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine has a molecular weight of 474.94 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine is sourced from PubChem (CID 11213658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).