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

• ChemBase ID: 62398
• Molecular Formular: C11H23ClN2O2S
• Molecular Mass: 282.83052
• Monoisotopic Mass: 282.11687667
• SMILES: S(=O)(=O)(N1C(C2CCNCC2)CCCC1)C.Cl
• Canonical SMILES: CS(=O)(=O)N1CCCCC1C1CCNCC1.Cl
• InChI: InChI=1S/C11H22N2O2S.ClH/c1-16(14,15)13-9-3-2-4-11(13)10-5-7-12-8-6-10;/h10-12H,2-9H2,1H3;1H
• InChIKey: RAHBKCGPFZSHIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21605965
• PubChem SID: 162028137
• PubChem CID: 71298713

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.294628
• LogD (pH = 7.4): -2.6262844
• 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