(2R)-2-(3-bromothiophen-2-yl)piperazine

C8H11BrN2S — CID 130612052

IUPAC(2R)-2-(3-bromothiophen-2-yl)piperazine
SMILESBrc1ccsc1[C@H]1CNCCN1
InChIInChI=1S/C8H11BrN2S/c9-6-1-4-12-8(6)7-5-10-2-3-11-7/h1,4,7,10-11H,2-3,5H2/t7-/m1/s1
InChIKeyQLAHDAWNLAOBPT-SSDOTTSWSA-N
MW247.16 g/mol
LogP1.74
Rot. Bonds1

About (2R)-2-(3-bromothiophen-2-yl)piperazine

(2R)-2-(3-bromothiophen-2-yl)piperazine (PubChem CID 130612052) has the molecular formula C8H11BrN2S and a molecular weight of 247.16 g/mol. Its IUPAC name is (2R)-2-(3-bromothiophen-2-yl)piperazine.

Molecular Properties

Compound Name(2R)-2-(3-bromothiophen-2-yl)piperazine
PubChem CID130612052
Molecular FormulaC8H11BrN2S
Molecular Weight247.16 g/mol
Exact Mass245.98
IUPAC Name(2R)-2-(3-bromothiophen-2-yl)piperazine
SMILESBrc1ccsc1[C@H]1CNCCN1
InChIInChI=1S/C8H11BrN2S/c9-6-1-4-12-8(6)7-5-10-2-3-11-7/h1,4,7,10-11H,2-3,5H2/t7-/m1/s1
InChIKeyQLAHDAWNLAOBPT-SSDOTTSWSA-N
XLogP1.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-bromothiophen-2-yl)azetidine
CID 130886552
(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride
CID 171193674
3-(3-bromothiophen-2-yl)piperidine
CID 82664967
(2S)-2-(3-bromo-2,6-difluorophenyl)piperazine
CID 131548332
4-(3-bromothiophen-2-yl)-3-propylpiperidine
CID 115381531
4-(3-bromothiophen-2-yl)azepane
CID 83261383
4-(3-bromothiophen-2-yl)-3-(2-chlorophenyl)piperidine
CID 115381544
(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130116570
2-bromo-4-[(2R)-piperazin-2-yl]phenol
CID 130705473
3-bromo-2-(2-bromocyclopropyl)thiophene
CID 130539869
3-benzyl-4-(3-bromothiophen-2-yl)piperidine
CID 115381528
6-[(2R)-piperazin-2-yl]pyridin-3-amine
CID 130741907

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromothiophen-2-yl)piperazine?
The IUPAC name of (2R)-2-(3-bromothiophen-2-yl)piperazine (CID 130612052) is (2R)-2-(3-bromothiophen-2-yl)piperazine.
What is the SMILES notation for (2R)-2-(3-bromothiophen-2-yl)piperazine?
The canonical SMILES for (2R)-2-(3-bromothiophen-2-yl)piperazine is Brc1ccsc1[C@H]1CNCCN1.
What is the InChIKey of (2R)-2-(3-bromothiophen-2-yl)piperazine?
The InChIKey is QLAHDAWNLAOBPT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11BrN2S/c9-6-1-4-12-8(6)7-5-10-2-3-11-7/h1,4,7,10-11H,2-3,5H2/t7-/m1/s1.
What are the key properties of (2R)-2-(3-bromothiophen-2-yl)piperazine?
(2R)-2-(3-bromothiophen-2-yl)piperazine has a molecular weight of 247.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromothiophen-2-yl)piperazine is sourced from PubChem (CID 130612052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).