1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine

C15H21FN6 — CID 857739

IUPAC1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCC(C)n1nnnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN6/c1-12(2)22-15(17-18-19-22)11-20-7-9-21(10-8-20)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3
InChIKeyOGRXDYDRSPDCSC-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.72
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine

1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine (PubChem CID 857739) has the molecular formula C15H21FN6 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
PubChem CID857739
Molecular FormulaC15H21FN6
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Name1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCC(C)n1nnnc1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN6/c1-12(2)22-15(17-18-19-22)11-20-7-9-21(10-8-20)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3
InChIKeyOGRXDYDRSPDCSC-UHFFFAOYSA-N
XLogP1.72
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine (CID 857739) is 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine is CC(C)n1nnnc1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The InChIKey is OGRXDYDRSPDCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6/c1-12(2)22-15(17-18-19-22)11-20-7-9-21(10-8-20)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine has a molecular weight of 304.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 857739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).