1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

C16H24BrFN2 — CID 107603929

IUPAC1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2c(F)cccc2Br)C(C(C)C)CN1
InChIInChI=1S/C16H24BrFN2/c1-5-16(4)10-20(14(9-19-16)11(2)3)15-12(17)7-6-8-13(15)18/h6-8,11,14,19H,5,9-10H2,1-4H3
InChIKeyNUWUKTZHTTUVBS-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.19
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine

1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (PubChem CID 107603929) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
PubChem CID107603929
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(c2c(F)cccc2Br)C(C(C)C)CN1
InChIInChI=1S/C16H24BrFN2/c1-5-16(4)10-20(14(9-19-16)11(2)3)15-12(17)7-6-8-13(15)18/h6-8,11,14,19H,5,9-10H2,1-4H3
InChIKeyNUWUKTZHTTUVBS-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-chlorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 103481721
5-ethyl-1-[2-(2-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylpiperazine
CID 64931798
1-(3-chloro-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64934684
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64933605
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64933858
1-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 102862613
5-ethyl-5-methyl-1-(2-phenoxyethyl)-2-propan-2-ylpiperazine
CID 64847525
1-(5-chloro-2-methoxyphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64935637
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
1-[1-(4-chlorophenyl)ethyl]-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64946846
1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 66255685
1-[(3-bromophenyl)methyl]-2-butan-2-yl-5-ethyl-5-methylpiperazine
CID 64847926

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine (CID 107603929) is 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is CCC1(C)CN(c2c(F)cccc2Br)C(C(C)C)CN1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is NUWUKTZHTTUVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-5-16(4)10-20(14(9-19-16)11(2)3)15-12(17)7-6-8-13(15)18/h6-8,11,14,19H,5,9-10H2,1-4H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine?
1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 343.28 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 107603929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).