1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine

C15H22BrFN2 — CID 64933561

IUPAC1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-4-12-9-18-15(3,5-2)10-19(12)14-7-6-11(17)8-13(14)16/h6-8,12,18H,4-5,9-10H2,1-3H3
InChIKeyXLEZCBXVNPABMM-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.95
Rot. Bonds3

About 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine

1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine (PubChem CID 64933561) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
PubChem CID64933561
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-4-12-9-18-15(3,5-2)10-19(12)14-7-6-11(17)8-13(14)16/h6-8,12,18H,4-5,9-10H2,1-3H3
InChIKeyXLEZCBXVNPABMM-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine (CID 64933561) is 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine is CCC1CNC(C)(CC)CN1c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
The InChIKey is XLEZCBXVNPABMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-4-12-9-18-15(3,5-2)10-19(12)14-7-6-11(17)8-13(14)16/h6-8,12,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine?
1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine has a molecular weight of 329.26 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 64933561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).