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

• ChemBase ID: 18957
• Molecular Formular: C11H22N2
• Molecular Mass: 182.30578
• Monoisotopic Mass: 182.17829871
• SMILES: N1(CCC2NCCCC2)CCCC1
• Canonical SMILES: C1CCC(NC1)CCN1CCCC1
• InChI: InChI=1S/C11H22N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h11-12H,1-10H2
• InChIKey: JVSMUMJQZBRHHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyrrolidin-1-yl)ethyl]piperidine
• IUPAC Traditional name: 2-[2-(pyrrolidin-1-yl)ethyl]piperidine
• Synonyms: 2-[2-(1-Pyrrolidino)ethyl]piperidine; 2-[2-(1-Pyrrolidinyl)ethyl]piperidine; 2-(2-pyrrolidin-1-ylethyl)piperidine; 2-(2-(pyrrolidin-1-yl)ethyl)piperidine; 2-(2-Pyrrolidin-1-yl-ethyl)-piperidine; 2-(2-吡咯烷-1-基乙基)哌啶

Database IDs

• CAS Number: 25082-00-2
• MDL Number: MFCD00023138
• PubChem SID: 160982264
• PubChem CID: 231871

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.8393164
• LogD (pH = 7.4): -2.7631905
• Log P: 1.2016565
• Molar Refractivity: 56.9311 cm^3
• Polarizability: 22.610828 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%