1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine

C15H16BrFN2S — CID 171178801

IUPAC1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1ccc([C@H](c2ccsc2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C15H16BrFN2S/c16-14-9-12(17)1-2-13(14)15(11-3-8-20-10-11)19-6-4-18-5-7-19/h1-3,8-10,15,18H,4-7H2/t15-/m0/s1
InChIKeyFXMNWXGWYYPGBX-HNNXBMFYSA-N
MW355.28 g/mol
LogP3.64
Rot. Bonds3

About 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine

1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine (PubChem CID 171178801) has the molecular formula C15H16BrFN2S and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
PubChem CID171178801
Molecular FormulaC15H16BrFN2S
Molecular Weight355.28 g/mol
Exact Mass354.02
IUPAC Name1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine
SMILESFc1ccc([C@H](c2ccsc2)N2CCNCC2)c(Br)c1
InChIInChI=1S/C15H16BrFN2S/c16-14-9-12(17)1-2-13(14)15(11-3-8-20-10-11)19-6-4-18-5-7-19/h1-3,8-10,15,18H,4-7H2/t15-/m0/s1
InChIKeyFXMNWXGWYYPGBX-HNNXBMFYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(5-fluoro-2-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171179397
1-[(R)-(3,5-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179419
1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171274866
1-[(S)-(2-fluoro-4-methylphenyl)-thiophen-3-ylmethyl]piperazine
CID 171175555
1-[(5-fluoro-2-methoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3820279
1-[(S)-(2-chloro-3-fluorophenyl)-thiophen-3-ylmethyl]piperazine;hydrochloride
CID 171179125
1-[(S)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175417
1-[(R)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171178804
1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperazine
CID 4013561
1-[(1R)-1-(2-bromo-4-fluorophenyl)prop-2-enyl]piperazine
CID 171168872
1-[(R)-(2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171179292
1-[(S)-(4-chloro-2,6-difluorophenyl)-thiophen-3-ylmethyl]piperazine
CID 171177467

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The IUPAC name of 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine (CID 171178801) is 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine.
What is the SMILES notation for 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The canonical SMILES for 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine is Fc1ccc([C@H](c2ccsc2)N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
The InChIKey is FXMNWXGWYYPGBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16BrFN2S/c16-14-9-12(17)1-2-13(14)15(11-3-8-20-10-11)19-6-4-18-5-7-19/h1-3,8-10,15,18H,4-7H2/t15-/m0/s1.
What are the key properties of 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine?
1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine has a molecular weight of 355.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(2-bromo-4-fluorophenyl)-thiophen-3-ylmethyl]piperazine is sourced from PubChem (CID 171178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).