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

C23H26F2N6O — CID 1445928

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

1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 1445928) has the molecular formula C23H26F2N6O and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
• PubChem CID: 1445928
• Molecular Formula: C23H26F2N6O
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
• SMILES: Fc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1
• InChI: InChI=1S/C23H26F2N6O/c24-19-8-2-1-7-18(19)22(23-26-27-28-31(23)16-17-6-5-15-32-17)30-13-11-29(12-14-30)21-10-4-3-9-20(21)25/h1-4,7-10,17,22H,5-6,11-16H2/t17-,22-/m0/s1
• InChIKey: DHFFNSRPQYLTIE-JTSKRJEESA-N
• XLogP: 3.04
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?

The IUPAC name of 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine (CID 1445928) is 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine.

What is the SMILES notation for 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?

The canonical SMILES for 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine is Fc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2ccccc2F)CC1.

What is the InChIKey of 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?

The InChIKey is DHFFNSRPQYLTIE-JTSKRJEESA-N. The full InChI is InChI=1S/C23H26F2N6O/c24-19-8-2-1-7-18(19)22(23-26-27-28-31(23)16-17-6-5-15-32-17)30-13-11-29(12-14-30)21-10-4-3-9-20(21)25/h1-4,7-10,17,22H,5-6,11-16H2/t17-,22-/m0/s1.

What are the key properties of 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine?

1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 440.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 1445928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).