1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine

C14H20BrFN2 — CID 65430675

IUPAC1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(Br)c(F)c2)CCN1
InChIInChI=1S/C14H20BrFN2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-13(15)14(16)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3
InChIKeyRVKINCMZVHRJAP-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine

1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine (PubChem CID 65430675) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
PubChem CID65430675
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(Br)c(F)c2)CCN1
InChIInChI=1S/C14H20BrFN2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-13(15)14(16)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3
InChIKeyRVKINCMZVHRJAP-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine (CID 65430675) is 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(c2ccc(Br)c(F)c2)CCN1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is RVKINCMZVHRJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-13(15)14(16)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine?
1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 315.23 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 65430675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).