3-(pyrrolidin-2-yl)piperidine

• ChemBase ID: 296122
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C1CC(CNC1)C1CCCN1
• Canonical SMILES: C1CCC(CN1)C1CCCN1
• InChI: InChI=1S/C9H18N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h8-11H,1-7H2
• InChIKey: QLTZNGNUWYPOSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(pyrrolidin-2-yl)piperidine
• IUPAC Traditional name: 3-(pyrrolidin-2-yl)piperidine
• Synonyms: 2-(3-Piperidinyl)pyrrolidine; 3-(2-Pyrrolidino)piperidine; 3-(2-Pyrrolidinyl)piperidine; 3-(2-吡咯烷基)哌啶

Database IDs

• CAS Number: 858262-19-8
• MDL Number: MFCD08277606
• PubChem SID: 180681653
• PubChem CID: 458601

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.7855954
• LogD (pH = 7.4): -4.1777635
• Log P: 0.41860172
• Molar Refractivity: 46.7802 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3259
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 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: 94%