1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C15H18BrCl2FN2S — CID 171276674

IUPAC1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(Br)c1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16BrFN2S.2ClH/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;2*1H/t15-;;/m0../s1
InChIKeyVFILYDNPSDJSMT-CKUXDGONSA-N
MW428.20 g/mol
LogP4.49
Rot. Bonds3

About 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171276674) has the molecular formula C15H18BrCl2FN2S and a molecular weight of 428.20 g/mol. Its IUPAC name is 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171276674
Molecular FormulaC15H18BrCl2FN2S
Molecular Weight428.20 g/mol
Exact Mass425.97
IUPAC Name1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(Br)c1[C@H](c1cccs1)N1CCNCC1
InChIInChI=1S/C15H16BrFN2S.2ClH/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;2*1H/t15-;;/m0../s1
InChIKeyVFILYDNPSDJSMT-CKUXDGONSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.20
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(3-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277701
1-[(S)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291239
1-[(S)-(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175769
1-[(R)-thiophen-2-yl-(2,3,6-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171179538
1-[(S)-thiophen-2-yl-(2,3,6-trifluorophenyl)methyl]piperazine;dihydrochloride
CID 171290300
1-[(R)-[2-fluoro-6-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171279231
1-[(R)-(3-chloro-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171180326
1-[(R)-(2-bromo-6-fluorophenyl)-(furan-2-yl)methyl]piperazine
CID 171179162
1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171274866
6-chloro-3-fluoro-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171302056
1-[(R)-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171284051

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171276674) is 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1cccc(Br)c1[C@H](c1cccs1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is VFILYDNPSDJSMT-CKUXDGONSA-N. The full InChI is InChI=1S/C15H16BrFN2S.2ClH/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;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(2-bromo-6-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride has a molecular weight of 428.20 g/mol, XLogP of 4.49, 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)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).