1-benzyl-2-(pyrrolidin-2-yl)pyrrolidine

• ChemBase ID: 267417
• Molecular Formular: C15H22N2
• Molecular Mass: 230.34858
• Monoisotopic Mass: 230.17829871
• SMILES: N1(C(C2NCCC2)CCC1)Cc1ccccc1
• Canonical SMILES: C1CNC(C1)C1CCCN1Cc1ccccc1
• InChI: InChI=1S/C15H22N2/c1-2-6-13(7-3-1)12-17-11-5-9-15(17)14-8-4-10-16-14/h1-3,6-7,14-16H,4-5,8-12H2
• InChIKey: XSMYNCCUVCACAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-(pyrrolidin-2-yl)pyrrolidine
• IUPAC Traditional name: 1-benzyl-2-(pyrrolidin-2-yl)pyrrolidine
• Synonyms: 1-benzyl-2-(pyrrolidin-2-yl)pyrrolidine

Database IDs

• MDL Number: MFCD16547571
• PubChem SID: 164323327
• PubChem CID: 47003018

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7294297
• LogD (pH = 7.4): -0.9728004
• Log P: 2.4813683
• Molar Refractivity: 71.7475 cm^3
• Polarizability: 28.55103 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.745

Product Information

• Purity: 95%