4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid

C14H17FN6O2 — CID 174515253

IUPAC4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid
SMILESCc1ccc(F)c(-n2nnc(CN3CCN(C(=O)O)CC3)n2)c1
InChIInChI=1S/C14H17FN6O2/c1-10-2-3-11(15)12(8-10)21-17-13(16-18-21)9-19-4-6-20(7-5-19)14(22)23/h2-3,8H,4-7,9H2,1H3,(H,22,23)
InChIKeyQXFMTUKMZYCXMJ-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.91
Rot. Bonds3

About 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid

4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid (PubChem CID 174515253) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid
PubChem CID174515253
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid
SMILESCc1ccc(F)c(-n2nnc(CN3CCN(C(=O)O)CC3)n2)c1
InChIInChI=1S/C14H17FN6O2/c1-10-2-3-11(15)12(8-10)21-17-13(16-18-21)9-19-4-6-20(7-5-19)14(22)23/h2-3,8H,4-7,9H2,1H3,(H,22,23)
InChIKeyQXFMTUKMZYCXMJ-UHFFFAOYSA-N
XLogP0.91
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid (CID 174515253) is 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid is Cc1ccc(F)c(-n2nnc(CN3CCN(C(=O)O)CC3)n2)c1.
What is the InChIKey of 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid?
The InChIKey is QXFMTUKMZYCXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O2/c1-10-2-3-11(15)12(8-10)21-17-13(16-18-21)9-19-4-6-20(7-5-19)14(22)23/h2-3,8H,4-7,9H2,1H3,(H,22,23).
What are the key properties of 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid?
4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid has a molecular weight of 320.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoro-5-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 174515253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).