1-[(2S)-pyrrolidine-2-carbonyl]piperidine

• ChemBase ID: 309967
• Molecular Formular: C10H18N2O
• Molecular Mass: 182.26272
• Monoisotopic Mass: 182.14191321
• SMILES: C(=O)(N1CCCCC1)[C@H]1NCCC1
• Canonical SMILES: O=C(N1CCCCC1)[C@@H]1CCCN1
• InChI: InChI=1S/C10H18N2O/c13-10(9-5-4-6-11-9)12-7-2-1-3-8-12/h9,11H,1-8H2/t9-/m0/s1
• InChIKey: VTWSMIPLWRXVEQ-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2S)-pyrrolidine-2-carbonyl]piperidine
• IUPAC Traditional name: 1-[(2S)-pyrrolidine-2-carbonyl]piperidine
• Synonyms: 1-L-prolylpiperidine

Database IDs

• CAS Number: 65921-40-6
• MDL Number: MFCD09725367

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.813338
• LogD (pH = 7.4): -1.9646587
• Log P: 0.39363423
• Molar Refractivity: 51.8219 cm^3
• Polarizability: 20.424976 Å^3
• Polar Surface Area: 32.34 Å^2