1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine

C11H13FN6 — CID 141390558

IUPAC1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine
SMILESFc1cc(-c2nn[nH]n2)ccc1N1CCNCC1
InChIInChI=1S/C11H13FN6/c12-9-7-8(11-14-16-17-15-11)1-2-10(9)18-5-3-13-4-6-18/h1-2,7,13H,3-6H2,(H,14,15,16,17)
InChIKeyCSAYGZDYKSAJAW-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.42
Rot. Bonds2

About 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine

1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine (PubChem CID 141390558) has the molecular formula C11H13FN6 and a molecular weight of 248.26 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine
PubChem CID141390558
Molecular FormulaC11H13FN6
Molecular Weight248.26 g/mol
Exact Mass248.12
IUPAC Name1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine
SMILESFc1cc(-c2nn[nH]n2)ccc1N1CCNCC1
InChIInChI=1S/C11H13FN6/c12-9-7-8(11-14-16-17-15-11)1-2-10(9)18-5-3-13-4-6-18/h1-2,7,13H,3-6H2,(H,14,15,16,17)
InChIKeyCSAYGZDYKSAJAW-UHFFFAOYSA-N
XLogP0.42
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine (CID 141390558) is 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine is Fc1cc(-c2nn[nH]n2)ccc1N1CCNCC1.
What is the InChIKey of 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine?
The InChIKey is CSAYGZDYKSAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6/c12-9-7-8(11-14-16-17-15-11)1-2-10(9)18-5-3-13-4-6-18/h1-2,7,13H,3-6H2,(H,14,15,16,17).
What are the key properties of 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine?
1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine has a molecular weight of 248.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]piperazine is sourced from PubChem (CID 141390558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).