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

C17H25FN6 — CID 858504

IUPAC1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCC(C)(C)n1nnnc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN6/c1-4-17(2,3)24-16(19-20-21-24)13-22-9-11-23(12-10-22)15-7-5-14(18)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeyKRNILBWNJXEJJK-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.28
Rot. Bonds5

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

1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (PubChem CID 858504) has the molecular formula C17H25FN6 and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
PubChem CID858504
Molecular FormulaC17H25FN6
Molecular Weight332.43 g/mol
Exact Mass332.21
IUPAC Name1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCC(C)(C)n1nnnc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN6/c1-4-17(2,3)24-16(19-20-21-24)13-22-9-11-23(12-10-22)15-7-5-14(18)6-8-15/h5-8H,4,9-13H2,1-3H3
InChIKeyKRNILBWNJXEJJK-UHFFFAOYSA-N
XLogP2.28
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (CID 858504) is 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is CCC(C)(C)n1nnnc1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is KRNILBWNJXEJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN6/c1-4-17(2,3)24-16(19-20-21-24)13-22-9-11-23(12-10-22)15-7-5-14(18)6-8-15/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 332.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 858504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).