2-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 34123
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C1CNC(CC1)C(=O)N1CCCC1
• Canonical SMILES: O=C(N1CCCC1)C1CCCCN1
• InChI: InChI=1S/C10H18N2O/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9/h9,11H,1-8H2
• InChIKey: JEOWANSFPWKXSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 2-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 2-(Pyrrolidin-1-ylcarbonyl)piperidine

Database IDs

• CAS Number: 130605-98-0
• MDL Number: MFCD06200871
• PubChem SID: 160997430
• PubChem CID: 2794694

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6164126
• LogD (pH = 7.4): -1.1052432
• Log P: 0.39363423
• Molar Refractivity: 51.8219 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false