1-{[(2R)-1-methylpyrrolidin-2-yl]methyl}piperidine

• ChemBase ID: 796954
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: C1CCN(CC1)C[C@@H]1N(CCC1)C
• Canonical SMILES: CN1CCC[C@@H]1CN1CCCCC1
• InChI: InChI=1S/C11H22N2/c1-12-7-5-6-11(12)10-13-8-3-2-4-9-13/h11H,2-10H2,1H3/t11-/m1/s1
• InChIKey: VCVPSRADUBPOKJ-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[(2R)-1-methylpyrrolidin-2-yl]methyl}piperidine
• IUPAC Traditional name: 1-{[(2R)-1-methylpyrrolidin-2-yl]methyl}piperidine
• Synonyms: (R)-1-((1-Methylpyrrolidin-2-yl)Methyl)piperidine

Database IDs

• CAS Number: 155726-05-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.63377
• LogD (pH = 7.4): -1.2103077
• Log P: 1.5247446
• Molar Refractivity: 57.3604 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%