1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine

C17H26BrFN2 — CID 64842373

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
SMILESCCC1CN(Cc2ccc(F)cc2Br)C(CC)(CC)CN1
InChIInChI=1S/C17H26BrFN2/c1-4-15-11-21(17(5-2,6-3)12-20-15)10-13-7-8-14(19)9-16(13)18/h7-9,15,20H,4-6,10-12H2,1-3H3
InChIKeyZYCTYHJEPJCTLW-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.33
Rot. Bonds5

About 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine

1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine (PubChem CID 64842373) has the molecular formula C17H26BrFN2 and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
PubChem CID64842373
Molecular FormulaC17H26BrFN2
Molecular Weight357.31 g/mol
Exact Mass356.13
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
SMILESCCC1CN(Cc2ccc(F)cc2Br)C(CC)(CC)CN1
InChIInChI=1S/C17H26BrFN2/c1-4-15-11-21(17(5-2,6-3)12-20-15)10-13-7-8-14(19)9-16(13)18/h7-9,15,20H,4-6,10-12H2,1-3H3
InChIKeyZYCTYHJEPJCTLW-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5-triethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperazine
CID 114349580
2,2,5-triethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375712
1-[(3-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64841983
1-[(5-chloro-2-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 103050786
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843141
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841386
1-[(2-bromo-4-fluorophenyl)methyl]-5-butan-2-yl-2,2-dimethylpiperazine
CID 64847870
1-[(3,4-dimethylphenyl)methyl]-2,2,5-triethylpiperazine
CID 64843731
2,2,5-triethyl-1-[(4-methoxyphenyl)methyl]piperazine
CID 64842179
6-[(5-bromo-2-fluorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64843737
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
CID 64840562

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine (CID 64842373) is 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine is CCC1CN(Cc2ccc(F)cc2Br)C(CC)(CC)CN1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine?
The InChIKey is ZYCTYHJEPJCTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrFN2/c1-4-15-11-21(17(5-2,6-3)12-20-15)10-13-7-8-14(19)9-16(13)18/h7-9,15,20H,4-6,10-12H2,1-3H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine?
1-[(2-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine has a molecular weight of 357.31 g/mol, XLogP of 4.33, 5 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)methyl]-2,2,5-triethylpiperazine is sourced from PubChem (CID 64842373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).