4-[2-(piperidin-1-yl)ethoxy]piperidine

• ChemBase ID: 285214
• Molecular Formular: C12H24N2O
• Molecular Mass: 212.33176
• Monoisotopic Mass: 212.1888634
• SMILES: N1(CCOC2CCNCC2)CCCCC1
• Canonical SMILES: C1CCN(CC1)CCOC1CCNCC1
• InChI: InChI=1S/C12H24N2O/c1-2-8-14(9-3-1)10-11-15-12-4-6-13-7-5-12/h12-13H,1-11H2
• InChIKey: NYGBPVDKVYYBRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-1-yl)ethoxy]piperidine
• IUPAC Traditional name: 4-[2-(piperidin-1-yl)ethoxy]piperidine
• Synonyms: 4-[2-(piperidin-1-yl)ethoxy]piperidine

Database IDs

• MDL Number: MFCD11644232
• PubChem SID: 180670745
• PubChem CID: 43167822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.765141
• LogD (pH = 7.4): -3.4669683
• Log P: 0.63731825
• Molar Refractivity: 63.33 cm^3
• Polarizability: 25.1236 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.905

Product Information

• Purity: 95%