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

• ChemBase ID: 306800
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(C(C2CCNCC2)C)CCCC1
• Canonical SMILES: CC(N1CCCC1)C1CCNCC1
• InChI: InChI=1S/C11H22N2/c1-10(13-8-2-3-9-13)11-4-6-12-7-5-11/h10-12H,2-9H2,1H3
• InChIKey: OWZYCRVGUAGGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(pyrrolidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 4-[1-(pyrrolidin-1-yl)ethyl]piperidine
• Synonyms: 4-(1-pyrrolidin-1-ylethyl)piperidine

Database IDs

• CAS Number: 933682-80-5
• MDL Number: MFCD09055236

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.610094
• LogD (pH = 7.4): -4.8493247
• Log P: 1.1169009
• Molar Refractivity: 56.9223 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2