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

C16H24BrFN2 — CID 64860226

IUPAC1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(F)cc2Br)C(C)CN1
InChIInChI=1S/C16H24BrFN2/c1-4-16(5-2)11-20(12(3)9-19-16)10-13-6-7-14(18)8-15(13)17/h6-8,12,19H,4-5,9-11H2,1-3H3
InChIKeyALULKPBMHHUPCY-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.94
Rot. Bonds4

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

1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine (PubChem CID 64860226) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
PubChem CID64860226
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(Cc2ccc(F)cc2Br)C(C)CN1
InChIInChI=1S/C16H24BrFN2/c1-4-16(5-2)11-20(12(3)9-19-16)10-13-6-7-14(18)8-15(13)17/h6-8,12,19H,4-5,9-11H2,1-3H3
InChIKeyALULKPBMHHUPCY-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64859837
1-[(2,4-difluorophenyl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64849242
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-dimethyl-2-propylpiperazine
CID 64837944
1-[(2-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-methylpiperazine
CID 64843561
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
1-[(2-bromophenyl)methyl]-3,3-diethyl-7-methyl-1,4-diazepane
CID 64871625
1-[(3,4-dimethylphenyl)methyl]-5,5-diethyl-2-methylpiperazine
CID 64861187
5,5-diethyl-1-[1-(4-fluorophenyl)ethyl]-2-methylpiperazine
CID 64946647
5,5-diethyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64860604
1-(2-bromo-4-fluorophenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64934721
1-[(2-bromo-4-fluorophenyl)methyl]-3-ethyl-3-methyl-1,4-diazepane
CID 64871927
3-[(5,5-diethyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173577

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine (CID 64860226) is 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(Cc2ccc(F)cc2Br)C(C)CN1.
What is the InChIKey of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine?
The InChIKey is ALULKPBMHHUPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-4-16(5-2)11-20(12(3)9-19-16)10-13-6-7-14(18)8-15(13)17/h6-8,12,19H,4-5,9-11H2,1-3H3.
What are the key properties of 1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine?
1-[(2-bromo-4-fluorophenyl)methyl]-5,5-diethyl-2-methylpiperazine has a molecular weight of 343.28 g/mol, XLogP of 3.94, 4 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]-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64860226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).