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

C23H24Cl2F2N6O — CID 11398095

IUPAC1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(c2ccc(Cl)cc2Cl)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C23H24Cl2F2N6O/c1-15(23(14-34-23)18-4-3-17(26)13-20(18)27)33-22(28-29-30-33)6-7-31-8-10-32(11-9-31)21-5-2-16(24)12-19(21)25/h2-5,12-13,15H,6-11,14H2,1H3
InChIKeyNACKUKIWHPKYIP-UHFFFAOYSA-N
MW509.39 g/mol
LogP4.11
Rot. Bonds7

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

1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine (PubChem CID 11398095) has the molecular formula C23H24Cl2F2N6O and a molecular weight of 509.39 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
PubChem CID11398095
Molecular FormulaC23H24Cl2F2N6O
Molecular Weight509.39 g/mol
Exact Mass508.14
IUPAC Name1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
SMILESCC(n1nnnc1CCN1CCN(c2ccc(Cl)cc2Cl)CC1)C1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C23H24Cl2F2N6O/c1-15(23(14-34-23)18-4-3-17(26)13-20(18)27)33-22(28-29-30-33)6-7-31-8-10-32(11-9-31)21-5-2-16(24)12-19(21)25/h2-5,12-13,15H,6-11,14H2,1H3
InChIKeyNACKUKIWHPKYIP-UHFFFAOYSA-N
XLogP4.11
TPSA62.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.39
LogP ≤ 54.11
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-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]tetrazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 3007885
(2R,3S)-3-[5-[2-[4-(2,4-dichlorophenyl)piperazin-1-yl]ethyl]tetrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 3007899
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-(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-Chlorophenyl)-4-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11248515
1-(2,4-Dichlorophenyl)-4-[2-[2-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine
CID 11260722
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-[2-[1-[1-[2-(2,4-Difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]-4-(4-nitrophenyl)piperazine
CID 11397587
3-[5-[2-[4-(2,4-Dichlorophenyl)piperazin-1-yl]ethyl]tetrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 11444586

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine (CID 11398095) is 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine is CC(n1nnnc1CCN1CCN(c2ccc(Cl)cc2Cl)CC1)C1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
The InChIKey is NACKUKIWHPKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2F2N6O/c1-15(23(14-34-23)18-4-3-17(26)13-20(18)27)33-22(28-29-30-33)6-7-31-8-10-32(11-9-31)21-5-2-16(24)12-19(21)25/h2-5,12-13,15H,6-11,14H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine?
1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine has a molecular weight of 509.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-[2-[1-[1-[2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]tetrazol-5-yl]ethyl]piperazine is sourced from PubChem (CID 11398095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).