1-methanesulfonyl-N-methylpiperidin-4-amine hydrochloride

• ChemBase ID: 237878
• Molecular Formular: C7H17ClN2O2S
• Molecular Mass: 228.74008
• Monoisotopic Mass: 228.06992647
• SMILES: S(=O)(=O)(N1CCC(CC1)NC)C.Cl
• Canonical SMILES: CNC1CCN(CC1)S(=O)(=O)C.Cl
• InChI: InChI=1S/C7H16N2O2S.ClH/c1-8-7-3-5-9(6-4-7)12(2,10)11;/h7-8H,3-6H2,1-2H3;1H
• InChIKey: WDSPHTWJGGSISZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methanesulfonyl-N-methylpiperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-methanesulfonyl-N-methylpiperidin-4-amine hydrochloride
• Synonyms: 1-methanesulfonyl-N-methylpiperidin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD22375294
• PubChem SID: 164293788
• PubChem CID: 71756038

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.676217
• LogD (pH = 7.4): -4.2331877
• Log P: -1.4441392
• Molar Refractivity: 48.0167 cm^3
• Polarizability: 19.764751 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 286 - 288°C
• Hydrophobicity(logP): -1.26

Product Information

• Purity: 95%