1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine

C13H17FN6 — CID 156640301

IUPAC1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine
SMILESCn1nnc(C(c2ccccc2F)N2CCNCC2)n1
InChIInChI=1S/C13H17FN6/c1-19-17-13(16-18-19)12(20-8-6-15-7-9-20)10-4-2-3-5-11(10)14/h2-5,12,15H,6-9H2,1H3
InChIKeyRMILGDYAQRMCNL-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.34
Rot. Bonds3

About 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine

1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine (PubChem CID 156640301) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine
PubChem CID156640301
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine
SMILESCn1nnc(C(c2ccccc2F)N2CCNCC2)n1
InChIInChI=1S/C13H17FN6/c1-19-17-13(16-18-19)12(20-8-6-15-7-9-20)10-4-2-3-5-11(10)14/h2-5,12,15H,6-9H2,1H3
InChIKeyRMILGDYAQRMCNL-UHFFFAOYSA-N
XLogP0.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine (CID 156640301) is 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine is Cn1nnc(C(c2ccccc2F)N2CCNCC2)n1.
What is the InChIKey of 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine?
The InChIKey is RMILGDYAQRMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-19-17-13(16-18-19)12(20-8-6-15-7-9-20)10-4-2-3-5-11(10)14/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine?
1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine has a molecular weight of 276.32 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-(2-methyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 156640301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).