1-(pyrrolidin-3-yl)piperidine

• ChemBase ID: 270059
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(C2CCNC2)CCCCC1
• Canonical SMILES: C1CCN(CC1)C1CNCC1
• InChI: InChI=1S/C9H18N2/c1-2-6-11(7-3-1)9-4-5-10-8-9/h9-10H,1-8H2
• InChIKey: BTZQCTWJDFNRMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrrolidin-3-yl)piperidine
• IUPAC Traditional name: 1-(pyrrolidin-3-yl)piperidine
• Synonyms: 1-(3-pyrrolidinyl)piperidine; 1-(pyrrolidin-3-yl)piperidine

Database IDs

• CAS Number: 184970-32-9
• MDL Number: MFCD06740691
• PubChem SID: 164325969
• PubChem CID: 23009617

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0637782
• LogD (pH = 7.4): -2.400741
• Log P: 0.62433404
• Molar Refractivity: 47.4211 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.574

Product Information

• Purity: 95%