1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine

C16H22BrFN2 — CID 64934453

IUPAC1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1cc(Br)ccc1F
InChIInChI=1S/C16H22BrFN2/c1-10(2)16-8-19-14(11-3-4-11)9-20(16)15-7-12(17)5-6-13(15)18/h5-7,10-11,14,16,19H,3-4,8-9H2,1-2H3
InChIKeyZOTYZCQXXPVIJL-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.80
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine

1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine (PubChem CID 64934453) has the molecular formula C16H22BrFN2 and a molecular weight of 341.27 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine
PubChem CID64934453
Molecular FormulaC16H22BrFN2
Molecular Weight341.27 g/mol
Exact Mass340.10
IUPAC Name1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1c1cc(Br)ccc1F
InChIInChI=1S/C16H22BrFN2/c1-10(2)16-8-19-14(11-3-4-11)9-20(16)15-7-12(17)5-6-13(15)18/h5-7,10-11,14,16,19H,3-4,8-9H2,1-2H3
InChIKeyZOTYZCQXXPVIJL-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine (CID 64934453) is 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
The InChIKey is ZOTYZCQXXPVIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2/c1-10(2)16-8-19-14(11-3-4-11)9-20(16)15-7-12(17)5-6-13(15)18/h5-7,10-11,14,16,19H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine has a molecular weight of 341.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-5-cyclopropyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64934453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).