(2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride

C14H23ClN2S — CID 171194701

IUPAC(2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride
SMILESCC(C)(C)Sc1ccccc1[C@@H]1CNCCN1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-14(2,3)17-13-7-5-4-6-11(13)12-10-15-8-9-16-12;/h4-7,12,15-16H,8-10H2,1-3H3;1H/t12-;/m0./s1
InChIKeyXCJYHHFCGKDZKB-YDALLXLXSA-N
MW286.87 g/mol
LogP3.23
Rot. Bonds2

About (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride

(2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride (PubChem CID 171194701) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride
PubChem CID171194701
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name(2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride
SMILESCC(C)(C)Sc1ccccc1[C@@H]1CNCCN1.Cl
InChIInChI=1S/C14H22N2S.ClH/c1-14(2,3)17-13-7-5-4-6-11(13)12-10-15-8-9-16-12;/h4-7,12,15-16H,8-10H2,1-3H3;1H/t12-;/m0./s1
InChIKeyXCJYHHFCGKDZKB-YDALLXLXSA-N
XLogP3.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride?
The IUPAC name of (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride (CID 171194701) is (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride.
What is the SMILES notation for (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride?
The canonical SMILES for (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride is CC(C)(C)Sc1ccccc1[C@@H]1CNCCN1.Cl.
What is the InChIKey of (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride?
The InChIKey is XCJYHHFCGKDZKB-YDALLXLXSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c1-14(2,3)17-13-7-5-4-6-11(13)12-10-15-8-9-16-12;/h4-7,12,15-16H,8-10H2,1-3H3;1H/t12-;/m0./s1.
What are the key properties of (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride?
(2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-tert-butylsulfanylphenyl)piperazine;hydrochloride is sourced from PubChem (CID 171194701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).