1-ethyl-2-(piperidin-3-yl)piperidine

• ChemBase ID: 274456
• Molecular Formular: C12H24N2
• Molecular Mass: 196.33236
• Monoisotopic Mass: 196.19394878
• SMILES: N1(C(C2CNCCC2)CCCC1)CC
• Canonical SMILES: CCN1CCCCC1C1CCCNC1
• InChI: InChI=1S/C12H24N2/c1-2-14-9-4-3-7-12(14)11-6-5-8-13-10-11/h11-13H,2-10H2,1H3
• InChIKey: FLXCSEVIJPITAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-(piperidin-3-yl)piperidine
• IUPAC Traditional name: 1-ethyl-2-(piperidin-3-yl)piperidine
• Synonyms: 1-ethyl-2-(piperidin-3-yl)piperidine

Database IDs

• MDL Number: MFCD18838818
• PubChem SID: 164330366
• PubChem CID: 54593173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.616531
• LogD (pH = 7.4): -2.6542149
• Log P: 1.6030263
• Molar Refractivity: 61.4245 cm^3
• Polarizability: 24.457176 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.041

Product Information

• Purity: 95%