2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride

C14H26ClN5O2S — CID 120895211

IUPAC2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CCNCC2c2nccn2C)CC1.Cl
InChIInChI=1S/C14H25N5O2S.ClH/c1-12-3-7-18(8-4-12)22(20,21)19-10-5-15-11-13(19)14-16-6-9-17(14)2;/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3;1H
InChIKeyWLMHQCKITOETJJ-UHFFFAOYSA-N
MW363.92 g/mol
LogP0.76
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride (PubChem CID 120895211) has the molecular formula C14H26ClN5O2S and a molecular weight of 363.92 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
PubChem CID120895211
Molecular FormulaC14H26ClN5O2S
Molecular Weight363.92 g/mol
Exact Mass363.15
IUPAC Name2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride
SMILESCC1CCN(S(=O)(=O)N2CCNCC2c2nccn2C)CC1.Cl
InChIInChI=1S/C14H25N5O2S.ClH/c1-12-3-7-18(8-4-12)22(20,21)19-10-5-15-11-13(19)14-16-6-9-17(14)2;/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3;1H
InChIKeyWLMHQCKITOETJJ-UHFFFAOYSA-N
XLogP0.76
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.92
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-1-piperidin-1-ylsulfonylpiperazine
CID 120894552
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
2,2-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120895077
2,5-dimethyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylmorpholine;hydrochloride
CID 120894939
N-ethyl-N-methyl-2-(1-methylimidazol-2-yl)piperazine-1-sulfonamide
CID 120894744
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-(2-methoxyethylsulfonyl)-2-(1-methylimidazol-2-yl)piperazine
CID 120894912
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylethyl]ethanesulfonamide;hydrochloride
CID 120894941
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride (CID 120895211) is 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride is CC1CCN(S(=O)(=O)N2CCNCC2c2nccn2C)CC1.Cl.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is WLMHQCKITOETJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2S.ClH/c1-12-3-7-18(8-4-12)22(20,21)19-10-5-15-11-13(19)14-16-6-9-17(14)2;/h6,9,12-13,15H,3-5,7-8,10-11H2,1-2H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 363.92 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-(4-methylpiperidin-1-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120895211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).