1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine

C20H24N6 — CID 1449045

IUPAC1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
SMILESc1ccc(CCn2nnnc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N6/c1-3-7-18(8-4-1)11-12-26-20(21-22-23-26)17-24-13-15-25(16-14-24)19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyLXGVLWHTHDJPLZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.24
Rot. Bonds6

About 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine

1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 1449045) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID1449045
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
SMILESc1ccc(CCn2nnnc2CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N6/c1-3-7-18(8-4-1)11-12-26-20(21-22-23-26)17-24-13-15-25(16-14-24)19-9-5-2-6-10-19/h1-10H,11-17H2
InChIKeyLXGVLWHTHDJPLZ-UHFFFAOYSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine (CID 1449045) is 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine is c1ccc(CCn2nnnc2CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is LXGVLWHTHDJPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-3-7-18(8-4-1)11-12-26-20(21-22-23-26)17-24-13-15-25(16-14-24)19-9-5-2-6-10-19/h1-10H,11-17H2.
What are the key properties of 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine?
1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 348.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 1449045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).