1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride

C15H16Cl2F2N2S — CID 171179321

IUPAC1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(F)c([C@H](c2ccc(Cl)s2)N2CCNCC2)c1
InChIInChI=1S/C15H15ClF2N2S.ClH/c16-14-4-3-13(21-14)15(20-7-5-19-6-8-20)11-9-10(17)1-2-12(11)18;/h1-4,9,15,19H,5-8H2;1H/t15-;/m1./s1
InChIKeyIBJORSGJYCJQGS-XFULWGLBSA-N
MW365.28 g/mol
LogP4.10
Rot. Bonds3

About 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride

1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 171179321) has the molecular formula C15H16Cl2F2N2S and a molecular weight of 365.28 g/mol. Its IUPAC name is 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
PubChem CID171179321
Molecular FormulaC15H16Cl2F2N2S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(F)c([C@H](c2ccc(Cl)s2)N2CCNCC2)c1
InChIInChI=1S/C15H15ClF2N2S.ClH/c16-14-4-3-13(21-14)15(20-7-5-19-6-8-20)11-9-10(17)1-2-12(11)18;/h1-4,9,15,19H,5-8H2;1H/t15-;/m1./s1
InChIKeyIBJORSGJYCJQGS-XFULWGLBSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine
CID 171179320
1-[(S)-(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175701
1-[(S)-(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175713
1-[(R)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171178804
1-[(S)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175417
1-[(S)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171176975
1-[(R)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171180369
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]piperazine
CID 171178914
1-[(R)-(5-chlorothiophen-2-yl)-[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 171180368
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-4,5-dimethoxyphenyl)methyl]piperazine;hydrochloride
CID 171181189
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-4-methylphenyl)methyl]piperazine;hydrochloride
CID 171178939

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride (CID 171179321) is 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1ccc(F)c([C@H](c2ccc(Cl)s2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is IBJORSGJYCJQGS-XFULWGLBSA-N. The full InChI is InChI=1S/C15H15ClF2N2S.ClH/c16-14-4-3-13(21-14)15(20-7-5-19-6-8-20)11-9-10(17)1-2-12(11)18;/h1-4,9,15,19H,5-8H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride?
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 365.28 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171179321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).