4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride

C12H19ClN2O2S — CID 47013193

IUPAC4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
SMILESCN1CCN(S(C)(=O)=O)C(c2ccccc2)C1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-13-8-9-14(17(2,15)16)12(10-13)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3;1H
InChIKeyJHKCRORDMGZOEJ-UHFFFAOYSA-N
MW290.82 g/mol
LogP1.36
Rot. Bonds2

About 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride

4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride (PubChem CID 47013193) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
PubChem CID47013193
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC Name4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
SMILESCN1CCN(S(C)(=O)=O)C(c2ccccc2)C1.Cl
InChIInChI=1S/C12H18N2O2S.ClH/c1-13-8-9-14(17(2,15)16)12(10-13)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3;1H
InChIKeyJHKCRORDMGZOEJ-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride?
The IUPAC name of 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride (CID 47013193) is 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride.
What is the SMILES notation for 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride?
The canonical SMILES for 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride is CN1CCN(S(C)(=O)=O)C(c2ccccc2)C1.Cl.
What is the InChIKey of 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride?
The InChIKey is JHKCRORDMGZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S.ClH/c1-13-8-9-14(17(2,15)16)12(10-13)11-6-4-3-5-7-11;/h3-7,12H,8-10H2,1-2H3;1H.
What are the key properties of 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride?
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride has a molecular weight of 290.82 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride is sourced from PubChem (CID 47013193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).