1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine

C15H16ClFN2S — CID 171178470

IUPAC1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](c2ccc(Cl)s2)N2CCNCC2)cc1
InChIInChI=1S/C15H16ClFN2S/c16-14-6-5-13(20-14)15(19-9-7-18-8-10-19)11-1-3-12(17)4-2-11/h1-6,15,18H,7-10H2/t15-/m1/s1
InChIKeyNZPMQEFEFZGSTL-OAHLLOKOSA-N
MW310.83 g/mol
LogP3.54
Rot. Bonds3

About 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine

1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine (PubChem CID 171178470) has the molecular formula C15H16ClFN2S and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
PubChem CID171178470
Molecular FormulaC15H16ClFN2S
Molecular Weight310.83 g/mol
Exact Mass310.07
IUPAC Name1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc([C@H](c2ccc(Cl)s2)N2CCNCC2)cc1
InChIInChI=1S/C15H16ClFN2S/c16-14-6-5-13(20-14)15(19-9-7-18-8-10-19)11-1-3-12(17)4-2-11/h1-6,15,18H,7-10H2/t15-/m1/s1
InChIKeyNZPMQEFEFZGSTL-OAHLLOKOSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(4-chloro-3-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
CID 171177801
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171178496
1-[(5-chlorothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane
CID 3732982
1-[(5-chlorothiophen-2-yl)-(4-ethylphenyl)methyl]piperazine
CID 4015812
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
1-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4317657
1-[(S)-(5-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methyl]piperazine;hydrochloride
CID 171175915
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluoro-4-methylphenyl)methyl]piperazine;hydrochloride
CID 171179364
1-[(S)-(5-chlorothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176675
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
CID 171179321
1-[(R)-(5-chlorothiophen-2-yl)-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171180017

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine (CID 171178470) is 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine is Fc1ccc([C@H](c2ccc(Cl)s2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine?
The InChIKey is NZPMQEFEFZGSTL-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-14-6-5-13(20-14)15(19-9-7-18-8-10-19)11-1-3-12(17)4-2-11/h1-6,15,18H,7-10H2/t15-/m1/s1.
What are the key properties of 1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine?
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine has a molecular weight of 310.83 g/mol, XLogP of 3.54, 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)-(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 171178470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).