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

C15H15BrN2O2S — CID 60629640

IUPAC(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H15BrN2O2S/c16-14-6-5-13(21-14)15(20)18-9-7-17(8-10-18)11-1-3-12(19)4-2-11/h1-6,19H,7-10H2
InChIKeyOTTGNZUZSNPHSF-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.18
Rot. Bonds2

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

(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 60629640) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID60629640
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)s1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H15BrN2O2S/c16-14-6-5-13(21-14)15(20)18-9-7-17(8-10-18)11-1-3-12(19)4-2-11/h1-6,19H,7-10H2
InChIKeyOTTGNZUZSNPHSF-UHFFFAOYSA-N
XLogP3.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777539
(5-bromothiophen-2-yl)-(4-methylidenepiperidin-1-yl)methanone
CID 131160226
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-iodophenyl)methanone
CID 2451417
(5-bromothiophen-2-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778193
1-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 60776287
[4-(4-methylsulfonylphenyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 136518800
1-[4-[4-(2-bromo-1,3-thiazole-5-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167770167
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279010
1-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805994
2-[4-(5-bromothiophene-2-carbonyl)piperazin-1-yl]-2-methylpropanethioamide
CID 63343775

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (CID 60629640) is (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1ccc(Br)s1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OTTGNZUZSNPHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c16-14-6-5-13(21-14)15(20)18-9-7-17(8-10-18)11-1-3-12(19)4-2-11/h1-6,19H,7-10H2.
What are the key properties of (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
(5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 367.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60629640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).