4-[2-(pyrrolidin-1-yl)ethyl]piperidine

• ChemBase ID: 74291
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1CCC(CCN2CCCC2)CC1
• Canonical SMILES: N1CCC(CC1)CCN1CCCC1
• InChI: InChI=1S/C11H22N2/c1-2-9-13(8-1)10-5-11-3-6-12-7-4-11/h11-12H,1-10H2
• InChIKey: LLCRHLSCWWMNEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyrrolidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 4-[2-(pyrrolidin-1-yl)ethyl]piperidine
• Synonyms: 1-[2-(Piperidin-4-yl)ethyl]pyrrolidine; 4-[2-(Pyrrolidin-1-yl)ethyl]piperidine 98%

Database IDs

• CAS Number: 14759-08-1
• MDL Number: MFCD03092939
• PubChem SID: 162039210
• PubChem CID: 296293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.6373553
• LogD (pH = 7.4): -4.4025908
• Log P: 1.0669408
• Molar Refractivity: 57.1815 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-72°C

Safety Information

• Storage Warning: Irritant