1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride

C15H17Cl2FN2S — CID 171178496

IUPAC1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c1
InChIInChI=1S/C15H16ClFN2S.ClH/c16-14-5-4-13(20-14)15(19-8-6-18-7-9-19)11-2-1-3-12(17)10-11;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1
InChIKeySDZOUHUNOVZTQR-XFULWGLBSA-N
MW347.29 g/mol
LogP3.96
Rot. Bonds3

About 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride

1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride (PubChem CID 171178496) has the molecular formula C15H17Cl2FN2S and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
PubChem CID171178496
Molecular FormulaC15H17Cl2FN2S
Molecular Weight347.29 g/mol
Exact Mass346.05
IUPAC Name1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Fc1cccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c1
InChIInChI=1S/C15H16ClFN2S.ClH/c16-14-5-4-13(20-14)15(19-8-6-18-7-9-19)11-2-1-3-12(17)10-11;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1
InChIKeySDZOUHUNOVZTQR-XFULWGLBSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(R)-(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171180017
1-[(R)-(5-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180732
1-[(S)-(4-chloro-3-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
CID 171177801
1-[(S)-(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175701
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]piperazine;hydrochloride
CID 171179364
1-[(S)-(5-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171175915
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518
1-[(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 3614145
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
CID 171179321
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 171179318
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine
CID 171179320

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride (CID 171178496) is 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride is Cl.Fc1cccc([C@H](c2ccc(Cl)s2)N2CCNCC2)c1.
What is the InChIKey of 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is SDZOUHUNOVZTQR-XFULWGLBSA-N. The full InChI is InChI=1S/C15H16ClFN2S.ClH/c16-14-5-4-13(20-14)15(19-8-6-18-7-9-19)11-2-1-3-12(17)10-11;/h1-5,10,15,18H,6-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride?
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.96, 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)-(3-fluorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 171178496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).