1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine

C15H16BrFN2O — CID 171179162

IUPAC1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
SMILESFc1cccc(Br)c1[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C15H16BrFN2O/c16-11-3-1-4-12(17)14(11)15(13-5-2-10-20-13)19-8-6-18-7-9-19/h1-5,10,15,18H,6-9H2/t15-/m0/s1
InChIKeyXEZULRQOGLQBRL-HNNXBMFYSA-N
MW339.21 g/mol
LogP3.18
Rot. Bonds3

About 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine

1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine (PubChem CID 171179162) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
PubChem CID171179162
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
SMILESFc1cccc(Br)c1[C@H](c1ccco1)N1CCNCC1
InChIInChI=1S/C15H16BrFN2O/c16-11-3-1-4-12(17)14(11)15(13-5-2-10-20-13)19-8-6-18-7-9-19/h1-5,10,15,18H,6-9H2/t15-/m0/s1
InChIKeyXEZULRQOGLQBRL-HNNXBMFYSA-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-[(R)-(2-bromo-3-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171179378
1-[(R)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171178743
1-[(S)-(3-bromo-4-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171175353
1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171276674
2-fluoro-6-[(S)-furan-2-yl(piperazin-1-yl)methyl]phenol
CID 171175036
1-[(R)-(2,6-difluoro-4-methoxyphenyl)-(furan-2-yl)methyl]piperazine
CID 171181410
1-[(S)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171178115
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-(furan-2-yl)methyl]piperazine
CID 171181512
1-[(S)-(2,6-difluoro-3-methoxyphenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178044
1-[(S)-(3,6-dichloro-2-fluorophenyl)-(furan-2-yl)methyl]piperazine;hydrochloride
CID 171178008
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
1-[(S)-(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175769

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine (CID 171179162) is 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine is Fc1cccc(Br)c1[C@H](c1ccco1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine?
The InChIKey is XEZULRQOGLQBRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c16-11-3-1-4-12(17)14(11)15(13-5-2-10-20-13)19-8-6-18-7-9-19/h1-5,10,15,18H,6-9H2/t15-/m0/s1.
What are the key properties of 1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine?
1-[(R)-(2-bromo-6-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)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine is sourced from PubChem (CID 171179162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).