1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine

C21H24ClFN6O — CID 3209370

IUPAC1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClFN6O/c1-30-14-13-29-21(24-25-26-29)20(18-7-2-3-8-19(18)23)28-11-9-27(10-12-28)17-6-4-5-16(22)15-17/h2-8,15,20H,9-14H2,1H3
InChIKeyYWGUUMBYCHSOGT-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.02
Rot. Bonds7

About 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine

1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209370) has the molecular formula C21H24ClFN6O and a molecular weight of 430.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209370
Molecular FormulaC21H24ClFN6O
Molecular Weight430.92 g/mol
Exact Mass430.17
IUPAC Name1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClFN6O/c1-30-14-13-29-21(24-25-26-29)20(18-7-2-3-8-19(18)23)28-11-9-27(10-12-28)17-6-4-5-16(22)15-17/h2-8,15,20H,9-14H2,1H3
InChIKeyYWGUUMBYCHSOGT-UHFFFAOYSA-N
XLogP3.02
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (CID 3209370) is 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is COCCn1nnnc1C(c1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is YWGUUMBYCHSOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN6O/c1-30-14-13-29-21(24-25-26-29)20(18-7-2-3-8-19(18)23)28-11-9-27(10-12-28)17-6-4-5-16(22)15-17/h2-8,15,20H,9-14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 430.92 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(2-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).