1-methanesulfonyl-4-(piperidin-2-yl)piperidine hydrochloride

• ChemBase ID: 62416
• Molecular Formular: C11H23ClN2O2S
• Molecular Mass: 282.83052
• Monoisotopic Mass: 282.11687667
• SMILES: S(=O)(=O)(N1CCC(C2NCCCC2)CC1)C.Cl
• Canonical SMILES: CS(=O)(=O)N1CCC(CC1)C1CCCCN1.Cl
• InChI: InChI=1S/C11H22N2O2S.ClH/c1-16(14,15)13-8-5-10(6-9-13)11-4-2-3-7-12-11;/h10-12H,2-9H2,1H3;1H
• InChIKey: YFNCFAMEWMQTAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonyl-4-(piperidin-2-yl)piperidine hydrochloride
• IUPAC Traditional name: 1-methanesulfonyl-4-(piperidin-2-yl)piperidine hydrochloride
• Synonyms: 1'-Methanesulfonyl-[2,4']bipiperidinyl hydrochloride

Database IDs

• MDL Number: MFCD21605975
• PubChem SID: 162028155
• PubChem CID: 71298720

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3065124
• LogD (pH = 7.4): -2.892874
• Log P: -0.07340524
• Molar Refractivity: 64.6469 cm^3
• Polarizability: 26.38249 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false