(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride

C8H12Cl2N2S — CID 171193674

IUPAC(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride
SMILESCl.Clc1ccsc1[C@H]1CNCCN1
InChIInChI=1S/C8H11ClN2S.ClH/c9-6-1-4-12-8(6)7-5-10-2-3-11-7;/h1,4,7,10-11H,2-3,5H2;1H/t7-;/m1./s1
InChIKeyMGDQKAIENVGDJW-OGFXRTJISA-N
MW239.17 g/mol
LogP2.06
Rot. Bonds1

About (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride

(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride (PubChem CID 171193674) has the molecular formula C8H12Cl2N2S and a molecular weight of 239.17 g/mol. Its IUPAC name is (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride
PubChem CID171193674
Molecular FormulaC8H12Cl2N2S
Molecular Weight239.17 g/mol
Exact Mass238.01
IUPAC Name(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride
SMILESCl.Clc1ccsc1[C@H]1CNCCN1
InChIInChI=1S/C8H11ClN2S.ClH/c9-6-1-4-12-8(6)7-5-10-2-3-11-7;/h1,4,7,10-11H,2-3,5H2;1H/t7-;/m1./s1
InChIKeyMGDQKAIENVGDJW-OGFXRTJISA-N
XLogP2.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride (CID 171193674) is (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride is Cl.Clc1ccsc1[C@H]1CNCCN1.
What is the InChIKey of (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride?
The InChIKey is MGDQKAIENVGDJW-OGFXRTJISA-N. The full InChI is InChI=1S/C8H11ClN2S.ClH/c9-6-1-4-12-8(6)7-5-10-2-3-11-7;/h1,4,7,10-11H,2-3,5H2;1H/t7-;/m1./s1.
What are the key properties of (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride?
(2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride has a molecular weight of 239.17 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorothiophen-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 171193674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).