(5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C15H14BrFN2OS — CID 17217718

IUPAC(5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H14BrFN2OS/c16-14-6-5-13(21-14)15(20)19-9-7-18(8-10-19)12-4-2-1-3-11(12)17/h1-6H,7-10H2
InChIKeyBYMGDBHPXJLMPK-UHFFFAOYSA-N
MW369.26 g/mol
LogP3.61
Rot. Bonds2

About (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 17217718) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID17217718
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name(5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H14BrFN2OS/c16-14-6-5-13(21-14)15(20)19-9-7-18(8-10-19)12-4-2-1-3-11(12)17/h1-6H,7-10H2
InChIKeyBYMGDBHPXJLMPK-UHFFFAOYSA-N
XLogP3.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 660306
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CID 1247700
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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 17217718) is (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(Br)s1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is BYMGDBHPXJLMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c16-14-6-5-13(21-14)15(20)19-9-7-18(8-10-19)12-4-2-1-3-11(12)17/h1-6H,7-10H2.
What are the key properties of (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 369.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17217718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).