1-methyl-4-(piperidin-4-yl)piperidine dihydrochloride

• ChemBase ID: 55215
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(CCC(CC1)C1CCNCC1)C.Cl.Cl
• Canonical SMILES: CN1CCC(CC1)C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-13-8-4-11(5-9-13)10-2-6-12-7-3-10;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: WBRHBLOALHYJLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(piperidin-4-yl)piperidine dihydrochloride
• IUPAC Traditional name: 1-methyl-4-(piperidin-4-yl)piperidine dihydrochloride
• Synonyms: 1-Methyl-4,4'-bipiperidine dihydrochloride

Database IDs

• CAS Number: 122373-80-2
• MDL Number: MFCD09759210
• PubChem SID: 162059978
• PubChem CID: 17955527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6093855
• LogD (pH = 7.4): -3.675345
• Log P: 0.9191982
• Molar Refractivity: 57.0585 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false