1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine

C16H24BrFN2 — CID 64842505

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H24BrFN2/c1-3-5-14-9-19-13(4-2)11-20(14)10-12-6-7-16(18)15(17)8-12/h6-8,13-14,19H,3-5,9-11H2,1-2H3
InChIKeyAQCYKOCKWYGWTP-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.94
Rot. Bonds5

About 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine

1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine (PubChem CID 64842505) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
PubChem CID64842505
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine
SMILESCCCC1CNC(CC)CN1Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H24BrFN2/c1-3-5-14-9-19-13(4-2)11-20(14)10-12-6-7-16(18)15(17)8-12/h6-8,13-14,19H,3-5,9-11H2,1-2H3
InChIKeyAQCYKOCKWYGWTP-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-[(3-bromo-2,6-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 106273342
1-[(3-bromo-4-fluorophenyl)methyl]-5-tert-butyl-2-ethylpiperazine
CID 64841431
1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 64862407
1-[(2,3-difluorophenyl)methyl]-5-ethyl-2-propylpiperazine
CID 64841727
1-[(3-bromo-4-fluorophenyl)methyl]-7-methyl-3-propyl-1,4-diazepane
CID 64869413
5-ethyl-1-[(4-methoxyphenyl)methyl]-2-propylpiperazine
CID 64842896
5-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]-2-propylpiperazine
CID 114349572
1-[(3-bromo-4-fluorophenyl)methyl]-2,2,5-triethylpiperazine
CID 64841983
1-[(3,4-dichlorophenyl)methyl]-2,5-diethylpiperazine
CID 64842881
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5-ethylpiperazine
CID 82924639
1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64846770

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine (CID 64842505) is 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine is CCCC1CNC(CC)CN1Cc1ccc(F)c(Br)c1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
The InChIKey is AQCYKOCKWYGWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-3-5-14-9-19-13(4-2)11-20(14)10-12-6-7-16(18)15(17)8-12/h6-8,13-14,19H,3-5,9-11H2,1-2H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine?
1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine has a molecular weight of 343.28 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-5-ethyl-2-propylpiperazine is sourced from PubChem (CID 64842505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).