4-[(pyrrolidin-3-yloxy)methyl]pyridine

• ChemBase ID: 274987
• Molecular Formular: C10H14N2O
• Molecular Mass: 178.23096
• Monoisotopic Mass: 178.11061308
• SMILES: N1CCC(OCc2ccncc2)C1
• Canonical SMILES: C1NCC(C1)OCc1ccncc1
• InChI: InChI=1S/C10H14N2O/c1-4-11-5-2-9(1)8-13-10-3-6-12-7-10/h1-2,4-5,10,12H,3,6-8H2
• InChIKey: HYLCAZBXNHYCSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(pyrrolidin-3-yloxy)methyl]pyridine
• IUPAC Traditional name: 4-[(pyrrolidin-3-yloxy)methyl]pyridine
• Synonyms: 4-[(pyrrolidin-3-yloxy)methyl]pyridine

Database IDs

• MDL Number: MFCD16709427
• PubChem SID: 164330897
• PubChem CID: 54593452

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.123437
• LogD (pH = 7.4): -2.639201
• Log P: 0.21514858
• Molar Refractivity: 50.7592 cm^3
• Polarizability: 20.120022 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.085

Product Information

• Purity: 95%