1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine

C21H24F2N6O — CID 3209296

IUPAC1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24F2N6O/c1-30-15-14-29-21(24-25-26-29)20(16-2-4-17(22)5-3-16)28-12-10-27(11-13-28)19-8-6-18(23)7-9-19/h2-9,20H,10-15H2,1H3
InChIKeySORSPNFXRBAOCY-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.51
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine

1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209296) has the molecular formula C21H24F2N6O and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209296
Molecular FormulaC21H24F2N6O
Molecular Weight414.46 g/mol
Exact Mass414.20
IUPAC Name1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24F2N6O/c1-30-15-14-29-21(24-25-26-29)20(16-2-4-17(22)5-3-16)28-12-10-27(11-13-28)19-8-6-18(23)7-9-19/h2-9,20H,10-15H2,1H3
InChIKeySORSPNFXRBAOCY-UHFFFAOYSA-N
XLogP2.51
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (CID 3209296) is 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is COCCn1nnnc1C(c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is SORSPNFXRBAOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O/c1-30-15-14-29-21(24-25-26-29)20(16-2-4-17(22)5-3-16)28-12-10-27(11-13-28)19-8-6-18(23)7-9-19/h2-9,20H,10-15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 414.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).