1-[(3R)-pyrrolidin-3-yl]piperidine

• ChemBase ID: 815666
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1CCN(CC1)[C@H]1CNCC1
• Canonical SMILES: C1CCN(CC1)[C@H]1CNCC1
• InChI: InChI=1S/C9H18N2/c1-2-6-11(7-3-1)9-4-5-10-8-9/h9-10H,1-8H2/t9-/m1/s1
• InChIKey: BTZQCTWJDFNRMS-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(3R)-pyrrolidin-3-yl]piperidine
• IUPAC Traditional name: 1-[(3R)-pyrrolidin-3-yl]piperidine
• Synonyms: (R)-1-(pyrrolidin-3-yl)piperidine

Database IDs

• CAS Number: 913812-09-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0637782
• LogD (pH = 7.4): -2.400741
• Log P: 0.62433404
• Molar Refractivity: 47.4211 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%