1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperazine

• ChemBase ID: 279657
• Molecular Formular: C11H23N3O2S
• Molecular Mass: 261.38422
• Monoisotopic Mass: 261.15109799
• SMILES: S(=O)(=O)(N1CC(CC(C1)C)C)N1CCNCC1
• Canonical SMILES: CC1CC(C)CN(C1)S(=O)(=O)N1CCNCC1
• InChI: InChI=1S/C11H23N3O2S/c1-10-7-11(2)9-14(8-10)17(15,16)13-5-3-12-4-6-13/h10-12H,3-9H2,1-2H3
• InChIKey: DJLFUQLTPUNABH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperazine
• IUPAC Traditional name: 1-(3,5-dimethylpiperidin-1-ylsulfonyl)piperazine
• Synonyms: 1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperazine

Database IDs

• MDL Number: MFCD08444722
• PubChem SID: 164335567
• PubChem CID: 16228165

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7625413
• LogD (pH = 7.4): -1.0557257
• Log P: -0.052216228
• Molar Refractivity: 68.269 cm^3
• Polarizability: 27.911676 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.725

Product Information

• Purity: 95%