1-methyl-2-(piperidin-4-yl)piperidine dihydrochloride

• ChemBase ID: 62380
• Molecular Formular: C11H24Cl2N2
• Molecular Mass: 255.22766
• Monoisotopic Mass: 254.13165414
• SMILES: N1(C(C2CCNCC2)CCCC1)C.Cl.Cl
• Canonical SMILES: CN1CCCCC1C1CCNCC1.Cl.Cl
• InChI: InChI=1S/C11H22N2.2ClH/c1-13-9-3-2-4-11(13)10-5-7-12-8-6-10;;/h10-12H,2-9H2,1H3;2*1H
• InChIKey: DEEBXNYYTMQZCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-(piperidin-4-yl)piperidine dihydrochloride
• IUPAC Traditional name: 1-methyl-2-(piperidin-4-yl)piperidine dihydrochloride
• Synonyms: 1-Methyl-[2,4']bipiperidinyl dihydrochloride

Database IDs

• MDL Number: MFCD21605951
• PubChem SID: 162028119
• PubChem CID: 71298698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.473405
• LogD (pH = 7.4): -4.097808
• Log P: 1.2046616
• Molar Refractivity: 56.7747 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