1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine

C15H16BrFN2O — CID 171178743

IUPAC1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
SMILESFc1ccc([C@H](c2ccco2)N2CCNCC2)cc1Br
InChIInChI=1S/C15H16BrFN2O/c16-12-10-11(3-4-13(12)17)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m1/s1
InChIKeyCPRRVSUHBFUOKH-OAHLLOKOSA-N
MW339.21 g/mol
LogP3.18
Rot. Bonds3

About 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine

1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine (PubChem CID 171178743) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
PubChem CID171178743
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
SMILESFc1ccc([C@H](c2ccco2)N2CCNCC2)cc1Br
InChIInChI=1S/C15H16BrFN2O/c16-12-10-11(3-4-13(12)17)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m1/s1
InChIKeyCPRRVSUHBFUOKH-OAHLLOKOSA-N
XLogP3.18
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175353
1-[(R)-(4-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171179727
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[furan-2-yl-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 4669112
1-[(S)-[3-chloro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171177928
1-[furan-2-yl-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3250165
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613
1-[(1R)-1-(3-bromo-4-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171168635
1-[(S)-[3-bromo-5-(trifluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171176803
1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274621

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine (CID 171178743) is 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine is Fc1ccc([C@H](c2ccco2)N2CCNCC2)cc1Br.
What is the InChIKey of 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The InChIKey is CPRRVSUHBFUOKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c16-12-10-11(3-4-13(12)17)15(14-2-1-9-20-14)19-7-5-18-6-8-19/h1-4,9-10,15,18H,5-8H2/t15-/m1/s1.
What are the key properties of 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine?
1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine has a molecular weight of 339.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171178743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).