1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

C15H18BrCl2FN2S — CID 171276826

IUPAC1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(Br)cc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H16BrFN2S.2ClH/c16-12-8-11(9-13(17)10-12)15(14-2-1-7-20-14)19-5-3-18-4-6-19;;/h1-2,7-10,15,18H,3-6H2;2*1H/t15-;;/m1../s1
InChIKeyMADLYDNHLSIQAN-QCUBGVIVSA-N
MW428.20 g/mol
LogP4.49
Rot. Bonds3

About 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride

1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (PubChem CID 171276826) has the molecular formula C15H18BrCl2FN2S and a molecular weight of 428.20 g/mol. Its IUPAC name is 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
PubChem CID171276826
Molecular FormulaC15H18BrCl2FN2S
Molecular Weight428.20 g/mol
Exact Mass425.97
IUPAC Name1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cc(Br)cc([C@H](c2cccs2)N2CCNCC2)c1
InChIInChI=1S/C15H16BrFN2S.2ClH/c16-12-8-11(9-13(17)10-12)15(14-2-1-7-20-14)19-5-3-18-4-6-19;;/h1-2,7-10,15,18H,3-6H2;2*1H/t15-;;/m1../s1
InChIKeyMADLYDNHLSIQAN-QCUBGVIVSA-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-[(S)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289451
1-[(S)-(4-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171291239
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-(3,4-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171283652
2,6-dibromo-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171286564
5-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]benzene-1,3-diol;dihydrochloride
CID 171273859
1-[(R)-(2-bromo-4-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171274866
1-[(S)-(2,5-dibromophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171296235
1-[(S)-(3,5-dichlorophenyl)-thiophen-2-ylmethyl]piperazine
CID 171288405
1-[(S)-[3,5-bis(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]piperazine
CID 171174966
1-[(R)-(3-bromo-2,6-difluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171277701

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride (CID 171276826) is 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is Cl.Cl.Fc1cc(Br)cc([C@H](c2cccs2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
The InChIKey is MADLYDNHLSIQAN-QCUBGVIVSA-N. The full InChI is InChI=1S/C15H16BrFN2S.2ClH/c16-12-8-11(9-13(17)10-12)15(14-2-1-7-20-14)19-5-3-18-4-6-19;;/h1-2,7-10,15,18H,3-6H2;2*1H/t15-;;/m1../s1.
What are the key properties of 1-[(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride?
1-[(R)-(3-bromo-5-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)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171276826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).