1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine

C15H22BrFN2 — CID 64934142

IUPAC1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1c1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-10-8-18-14(15(2,3)4)9-19(10)13-6-5-11(17)7-12(13)16/h5-7,10,14,18H,8-9H2,1-4H3
InChIKeyHJBQUUIFFDNQEG-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.80
Rot. Bonds1

About 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine

1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine (PubChem CID 64934142) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
PubChem CID64934142
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
SMILESCC1CNC(C(C)(C)C)CN1c1ccc(F)cc1Br
InChIInChI=1S/C15H22BrFN2/c1-10-8-18-14(15(2,3)4)9-19(10)13-6-5-11(17)7-12(13)16/h5-7,10,14,18H,8-9H2,1-4H3
InChIKeyHJBQUUIFFDNQEG-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
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-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine (CID 64934142) is 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine is CC1CNC(C(C)(C)C)CN1c1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine?
The InChIKey is HJBQUUIFFDNQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-10-8-18-14(15(2,3)4)9-19(10)13-6-5-11(17)7-12(13)16/h5-7,10,14,18H,8-9H2,1-4H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine?
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine has a molecular weight of 329.26 g/mol, XLogP of 3.80, 1 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)-5-tert-butyl-2-methylpiperazine is sourced from PubChem (CID 64934142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).