(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride

C12H19ClN2S — CID 171194743

IUPAC(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride
SMILESCCSc1ccc([C@@H]2CNCCN2)cc1.Cl
InChIInChI=1S/C12H18N2S.ClH/c1-2-15-11-5-3-10(4-6-11)12-9-13-7-8-14-12;/h3-6,12-14H,2,7-9H2,1H3;1H/t12-;/m0./s1
InChIKeyWKUYSOIKOBCLAH-YDALLXLXSA-N
MW258.82 g/mol
LogP2.45
Rot. Bonds3

About (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride

(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride (PubChem CID 171194743) has the molecular formula C12H19ClN2S and a molecular weight of 258.82 g/mol. Its IUPAC name is (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride
PubChem CID171194743
Molecular FormulaC12H19ClN2S
Molecular Weight258.82 g/mol
Exact Mass258.10
IUPAC Name(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride
SMILESCCSc1ccc([C@@H]2CNCCN2)cc1.Cl
InChIInChI=1S/C12H18N2S.ClH/c1-2-15-11-5-3-10(4-6-11)12-9-13-7-8-14-12;/h3-6,12-14H,2,7-9H2,1H3;1H/t12-;/m0./s1
InChIKeyWKUYSOIKOBCLAH-YDALLXLXSA-N
XLogP2.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride (CID 171194743) is (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride is CCSc1ccc([C@@H]2CNCCN2)cc1.Cl.
What is the InChIKey of (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride?
The InChIKey is WKUYSOIKOBCLAH-YDALLXLXSA-N. The full InChI is InChI=1S/C12H18N2S.ClH/c1-2-15-11-5-3-10(4-6-11)12-9-13-7-8-14-12;/h3-6,12-14H,2,7-9H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride?
(2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride has a molecular weight of 258.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylsulfanylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).