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

C15H15BrClFN2S — CID 171179154

IUPAC1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
SMILESFc1c(Br)cccc1[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C15H15BrClFN2S/c16-11-3-1-2-10(14(11)18)15(12-4-5-13(17)21-12)20-8-6-19-7-9-20/h1-5,15,19H,6-9H2/t15-/m1/s1
InChIKeyLRLGCANXQSEMHI-OAHLLOKOSA-N
MW389.72 g/mol
LogP4.30
Rot. Bonds3

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

1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine (PubChem CID 171179154) has the molecular formula C15H15BrClFN2S and a molecular weight of 389.72 g/mol. Its IUPAC name is 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
PubChem CID171179154
Molecular FormulaC15H15BrClFN2S
Molecular Weight389.72 g/mol
Exact Mass387.98
IUPAC Name1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
SMILESFc1c(Br)cccc1[C@H](c1ccc(Cl)s1)N1CCNCC1
InChIInChI=1S/C15H15BrClFN2S/c16-11-3-1-2-10(14(11)18)15(12-4-5-13(17)21-12)20-8-6-19-7-9-20/h1-5,15,19H,6-9H2/t15-/m1/s1
InChIKeyLRLGCANXQSEMHI-OAHLLOKOSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]piperazine
CID 171179683
1-[(S)-(2-bromo-6-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175769
1-[(S)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175417
1-[(R)-(2-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171178804
1-[(S)-(2-bromo-5-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175701
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine
CID 171179320
1-[(S)-(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175713
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
CID 171179321
1-[(R)-(5-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 171178496
1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180714

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine (CID 171179154) is 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine is Fc1c(Br)cccc1[C@H](c1ccc(Cl)s1)N1CCNCC1.
What is the InChIKey of 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine?
The InChIKey is LRLGCANXQSEMHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15BrClFN2S/c16-11-3-1-2-10(14(11)18)15(12-4-5-13(17)21-12)20-8-6-19-7-9-20/h1-5,15,19H,6-9H2/t15-/m1/s1.
What are the key properties of 1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine?
1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine has a molecular weight of 389.72 g/mol, XLogP of 4.30, 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-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 171179154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).