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

C22H27FN6O — CID 3209299

IUPAC1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27FN6O/c1-30-16-15-29-22(24-25-26-29)21(19-7-9-20(23)10-8-19)28-13-11-27(12-14-28)17-18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3
InChIKeyWXJNIZKPRZSGTG-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.37
Rot. Bonds8

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

1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209299) has the molecular formula C22H27FN6O and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209299
Molecular FormulaC22H27FN6O
Molecular Weight410.50 g/mol
Exact Mass410.22
IUPAC Name1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27FN6O/c1-30-16-15-29-22(24-25-26-29)21(19-7-9-20(23)10-8-19)28-13-11-27(12-14-28)17-18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3
InChIKeyWXJNIZKPRZSGTG-UHFFFAOYSA-N
XLogP2.37
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (CID 3209299) is 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is COCCn1nnnc1C(c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is WXJNIZKPRZSGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O/c1-30-16-15-29-22(24-25-26-29)21(19-7-9-20(23)10-8-19)28-13-11-27(12-14-28)17-18-5-3-2-4-6-18/h2-10,21H,11-17H2,1H3.
What are the key properties of 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 410.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).