1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine

C17H26BrFN2 — CID 64839735

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccc(Br)cc2F)C(C(C)(C)C)CN1
InChIInChI=1S/C17H26BrFN2/c1-16(2,3)15-9-20-17(4,5)11-21(15)10-12-6-7-13(18)8-14(12)19/h6-8,15,20H,9-11H2,1-5H3
InChIKeyFJHKLGSIPVMYQG-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.19
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine

1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine (PubChem CID 64839735) has the molecular formula C17H26BrFN2 and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine
PubChem CID64839735
Molecular FormulaC17H26BrFN2
Molecular Weight357.31 g/mol
Exact Mass356.13
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine
SMILESCC1(C)CN(Cc2ccc(Br)cc2F)C(C(C)(C)C)CN1
InChIInChI=1S/C17H26BrFN2/c1-16(2,3)15-9-20-17(4,5)11-21(15)10-12-6-7-13(18)8-14(12)19/h6-8,15,20H,9-11H2,1-5H3
InChIKeyFJHKLGSIPVMYQG-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-[(2,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839540
2-tert-butyl-1-[(2-chloro-4-fluorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839722
2-tert-butyl-1-[(2-chlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64839733
1-benzyl-2-tert-butyl-5,5-dimethylpiperazine
CID 64839732
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845979
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2,5-dimethylpiperazine
CID 64877865
1-[(4-bromo-2-fluorophenyl)methyl]-4-tert-butylpiperazine
CID 61057200
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
N-[(4-bromo-2-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 43242863
1-[(4-bromo-2-fluorophenyl)methyl]-2-phenylpiperazine
CID 64834543

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine (CID 64839735) is 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine is CC1(C)CN(Cc2ccc(Br)cc2F)C(C(C)(C)C)CN1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine?
The InChIKey is FJHKLGSIPVMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrFN2/c1-16(2,3)15-9-20-17(4,5)11-21(15)10-12-6-7-13(18)8-14(12)19/h6-8,15,20H,9-11H2,1-5H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine?
1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine has a molecular weight of 357.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-2-tert-butyl-5,5-dimethylpiperazine is sourced from PubChem (CID 64839735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).