1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine

C14H20BrFN2 — CID 64936357

IUPAC1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(Br)cc2F)C(C)CN1
InChIInChI=1S/C14H20BrFN2/c1-9(2)13-8-18(10(3)7-17-13)14-5-4-11(15)6-12(14)16/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyOEWROGNYBSFBAJ-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.41
Rot. Bonds2

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

1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64936357) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
PubChem CID64936357
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(Br)cc2F)C(C)CN1
InChIInChI=1S/C14H20BrFN2/c1-9(2)13-8-18(10(3)7-17-13)14-5-4-11(15)6-12(14)16/h4-6,9-10,13,17H,7-8H2,1-3H3
InChIKeyOEWROGNYBSFBAJ-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 104781812
1-(2-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952707
1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 82819769
5-butan-2-yl-1-(2,5-dibromophenyl)-2-methylpiperazine
CID 64939257
2-methyl-1-naphthalen-1-yl-5-propan-2-ylpiperazine
CID 64952275
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64937512
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
5-butan-2-yl-1-(2-fluorophenyl)-2-methylpiperazine
CID 64953705
1-(4-bromo-2-ethylphenyl)-2-ethyl-5-propan-2-ylpiperazine
CID 81288854
1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
2-methyl-1-(2-methyl-3-pyridinyl)-5-propan-2-ylpiperazine
CID 79043175

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine (CID 64936357) is 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine is CC(C)C1CN(c2ccc(Br)cc2F)C(C)CN1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is OEWROGNYBSFBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9(2)13-8-18(10(3)7-17-13)14-5-4-11(15)6-12(14)16/h4-6,9-10,13,17H,7-8H2,1-3H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 315.23 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64936357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).