1-benzyl-4-(pyrrolidin-2-yl)piperidine

• ChemBase ID: 265397
• Molecular Formular: C16H24N2
• Molecular Mass: 244.37516
• Monoisotopic Mass: 244.19394878
• SMILES: N1(Cc2ccccc2)CCC(C2NCCC2)CC1
• Canonical SMILES: C1CNC(C1)C1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C16H24N2/c1-2-5-14(6-3-1)13-18-11-8-15(9-12-18)16-7-4-10-17-16/h1-3,5-6,15-17H,4,7-13H2
• InChIKey: LLECPDMILCCLLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-(pyrrolidin-2-yl)piperidine
• IUPAC Traditional name: 1-benzyl-4-(pyrrolidin-2-yl)piperidine
• Synonyms: 1-benzyl-4-(pyrrolidin-2-yl)piperidine

Database IDs

• MDL Number: MFCD05189288
• PubChem SID: 164321307
• PubChem CID: 4332575

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0626936
• LogD (pH = 7.4): -2.5599205
• Log P: 2.484566
• Molar Refractivity: 76.7863 cm^3
• Polarizability: 30.397923 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.741

Product Information

• Purity: 95%