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

• ChemBase ID: 265987
• Molecular Formular: C16H24N2
• Molecular Mass: 244.37516
• Monoisotopic Mass: 244.19394878
• SMILES: N1(C(C2NCCC2)CCCC1)Cc1ccccc1
• Canonical SMILES: C1CCN(C(C1)C1CCCN1)Cc1ccccc1
• InChI: InChI=1S/C16H24N2/c1-2-7-14(8-3-1)13-18-12-5-4-10-16(18)15-9-6-11-17-15/h1-3,7-8,15-17H,4-6,9-13H2
• InChIKey: UXGJJTRXGGGAKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05189293
• PubChem SID: 164321897
• PubChem CID: 4444549

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.98585206
• LogD (pH = 7.4): -0.20677653
• Log P: 2.925937
• Molar Refractivity: 76.3485 cm^3
• Polarizability: 30.39792 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.303

Product Information

• Purity: 95%