1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine

C17H26BrFN2 — CID 104781751

IUPAC1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(c2ccc(F)c(Br)c2)C(C(C)C)CN1
InChIInChI=1S/C17H26BrFN2/c1-11(2)7-13-10-21(17(9-20-13)12(3)4)14-5-6-16(19)15(18)8-14/h5-6,8,11-13,17,20H,7,9-10H2,1-4H3
InChIKeyBBJYDEVKZXCVQH-UHFFFAOYSA-N
MW357.31 g/mol
LogP4.44
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine

1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine (PubChem CID 104781751) has the molecular formula C17H26BrFN2 and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
PubChem CID104781751
Molecular FormulaC17H26BrFN2
Molecular Weight357.31 g/mol
Exact Mass356.13
IUPAC Name1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)CC1CN(c2ccc(F)c(Br)c2)C(C(C)C)CN1
InChIInChI=1S/C17H26BrFN2/c1-11(2)7-13-10-21(17(9-20-13)12(3)4)14-5-6-16(19)15(18)8-14/h5-6,8,11-13,17,20H,7,9-10H2,1-4H3
InChIKeyBBJYDEVKZXCVQH-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64940242
1-(2,5-dibromophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64936125
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64930058
1-(3-bromo-2-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 107639844
5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 114840927
1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 104781812
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
1-(2-bromo-6-fluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 107603926
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 114840951
1-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64936447
1-(2-bromo-6-fluorophenyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 107603940
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine (CID 104781751) is 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine is CC(C)CC1CN(c2ccc(F)c(Br)c2)C(C(C)C)CN1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is BBJYDEVKZXCVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrFN2/c1-11(2)7-13-10-21(17(9-20-13)12(3)4)14-5-6-16(19)15(18)8-14/h5-6,8,11-13,17,20H,7,9-10H2,1-4H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine?
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 357.31 g/mol, XLogP of 4.44, 4 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)-5-(2-methylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 104781751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).