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

C14H20BrFN2 — CID 104781812

IUPAC1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(F)c(Br)c2)C(C)CN1
InChIInChI=1S/C14H20BrFN2/c1-9(2)14-8-18(10(3)7-17-14)11-4-5-13(16)12(15)6-11/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyRRPAMJRWJHGMRZ-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.41
Rot. Bonds2

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

1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine (PubChem CID 104781812) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
PubChem CID104781812
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(F)c(Br)c2)C(C)CN1
InChIInChI=1S/C14H20BrFN2/c1-9(2)14-8-18(10(3)7-17-14)11-4-5-13(16)12(15)6-11/h4-6,9-10,14,17H,7-8H2,1-3H3
InChIKeyRRPAMJRWJHGMRZ-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-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64936357
2-methyl-1-(3-methylphenyl)-5-propan-2-ylpiperazine
CID 64952301
1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 82819769
2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64936332
1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine
CID 64938447
1-(5-bromo-4-fluoro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 107594300
1-(3-bromo-4-fluorophenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 104781751
1-(3-fluoro-4-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954088
1-(5-bromo-4-fluoro-2-methylphenyl)-5-butan-2-yl-2-methylpiperazine
CID 107594278
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64937512
1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine
CID 107617341
1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
CID 64940047

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine (CID 104781812) is 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine is CC(C)C1CN(c2ccc(F)c(Br)c2)C(C)CN1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is RRPAMJRWJHGMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9(2)14-8-18(10(3)7-17-14)11-4-5-13(16)12(15)6-11/h4-6,9-10,14,17H,7-8H2,1-3H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine?
1-(3-bromo-4-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-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 104781812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).