1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine

C16H24BrFN2 — CID 171168949

IUPAC1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1ccc(F)cc1Br)N1CCNCC1
InChIInChI=1S/C16H24BrFN2/c1-3-4-12(2)16(20-9-7-19-8-10-20)14-6-5-13(18)11-15(14)17/h5-6,11-12,16,19H,3-4,7-10H2,1-2H3/t12?,16-/m1/s1
InChIKeyMMZOCDADLHVTTD-PVQCJRHBSA-N
MW343.28 g/mol
LogP3.97
Rot. Bonds5

About 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine

1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine (PubChem CID 171168949) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
PubChem CID171168949
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC Name1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine
SMILESCCCC(C)[C@H](c1ccc(F)cc1Br)N1CCNCC1
InChIInChI=1S/C16H24BrFN2/c1-3-4-12(2)16(20-9-7-19-8-10-20)14-6-5-13(18)11-15(14)17/h5-6,11-12,16,19H,3-4,7-10H2,1-2H3/t12?,16-/m1/s1
InChIKeyMMZOCDADLHVTTD-PVQCJRHBSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171163371
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171168887
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171287499
1-[(1R)-1-(2,3-difluoro-4-methylphenyl)-2-methylpentyl]piperazine
CID 171171984
1-[(1R)-2-methyl-1-(2,4,5-trifluorophenyl)pentyl]piperazine
CID 171171899
1-[(1S)-1-(2,4-difluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305031
1-[(1R)-1-(4-bromo-2,6-difluorophenyl)-2-methylpentyl]piperazine
CID 171170472
1-[(1R)-1-(2-bromo-5-fluorophenyl)butyl]piperazine
CID 171169151
1-[(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171163196
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287501
1-[(1S)-1-(2-bromo-4-chlorophenyl)-2-methylbutyl]piperazine
CID 171305248
1-[(1S)-1-(2,5-difluorophenyl)-2-methylbutyl]piperazine
CID 171305268

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine (CID 171168949) is 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine is CCCC(C)[C@H](c1ccc(F)cc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine?
The InChIKey is MMZOCDADLHVTTD-PVQCJRHBSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-3-4-12(2)16(20-9-7-19-8-10-20)14-6-5-13(18)11-15(14)17/h5-6,11-12,16,19H,3-4,7-10H2,1-2H3/t12?,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine?
1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine has a molecular weight of 343.28 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpentyl]piperazine is sourced from PubChem (CID 171168949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).