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

C15H17BrClFN2O — CID 171179378

IUPAC1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](c2ccco2)N2CCNCC2)c1Br
InChIInChI=1S/C15H16BrFN2O.ClH/c16-14-11(3-1-4-12(14)17)15(13-5-2-10-20-13)19-8-6-18-7-9-19;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1
InChIKeyLIIMDBFBZRREDD-XFULWGLBSA-N
MW375.67 g/mol
LogP3.60
Rot. Bonds3

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

1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (PubChem CID 171179378) has the molecular formula C15H17BrClFN2O and a molecular weight of 375.67 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
PubChem CID171179378
Molecular FormulaC15H17BrClFN2O
Molecular Weight375.67 g/mol
Exact Mass374.02
IUPAC Name1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](c2ccco2)N2CCNCC2)c1Br
InChIInChI=1S/C15H16BrFN2O.ClH/c16-14-11(3-1-4-12(14)17)15(13-5-2-10-20-13)19-8-6-18-7-9-19;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1
InChIKeyLIIMDBFBZRREDD-XFULWGLBSA-N
XLogP3.60
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.67
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(S)-(3-fluoro-2-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175471
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-furan-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176421
1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175353
1-[(R)-furan-2-yl-(2,3,5-trifluorophenyl)methyl]piperazine
CID 171179613
1-[(S)-(2-fluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171176498
1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171178743
1-[(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171176743
4-fluoro-2-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol;hydrochloride
CID 171175035
1-[(S)-(2-chloro-5-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171176466

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride (CID 171179378) is 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is Cl.Fc1cccc([C@H](c2ccco2)N2CCNCC2)c1Br.
What is the InChIKey of 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
The InChIKey is LIIMDBFBZRREDD-XFULWGLBSA-N. The full InChI is InChI=1S/C15H16BrFN2O.ClH/c16-14-11(3-1-4-12(14)17)15(13-5-2-10-20-13)19-8-6-18-7-9-19;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride?
1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride has a molecular weight of 375.67 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171179378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).