1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine

C17H18BrFN2 — CID 107603931

IUPAC1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2c(F)cccc2Br)C(c2ccccc2)CN1
InChIInChI=1S/C17H18BrFN2/c1-12-11-21(17-14(18)8-5-9-15(17)19)16(10-20-12)13-6-3-2-4-7-13/h2-9,12,16,20H,10-11H2,1H3
InChIKeyWARRWAFAFAYUIQ-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.13
Rot. Bonds2

About 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine

1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine (PubChem CID 107603931) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine
PubChem CID107603931
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine
SMILESCC1CN(c2c(F)cccc2Br)C(c2ccccc2)CN1
InChIInChI=1S/C17H18BrFN2/c1-12-11-21(17-14(18)8-5-9-15(17)19)16(10-20-12)13-6-3-2-4-7-13/h2-9,12,16,20H,10-11H2,1H3
InChIKeyWARRWAFAFAYUIQ-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine (CID 107603931) is 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine is CC1CN(c2c(F)cccc2Br)C(c2ccccc2)CN1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine?
The InChIKey is WARRWAFAFAYUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c1-12-11-21(17-14(18)8-5-9-15(17)19)16(10-20-12)13-6-3-2-4-7-13/h2-9,12,16,20H,10-11H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine?
1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine has a molecular weight of 349.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 107603931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).