4-(3-methoxypropoxy)piperidine

• ChemBase ID: 278861
• Molecular Formular: C9H19NO2
• Molecular Mass: 173.25266
• Monoisotopic Mass: 173.14157885
• SMILES: N1CCC(CC1)OCCCOC
• Canonical SMILES: COCCCOC1CCNCC1
• InChI: InChI=1S/C9H19NO2/c1-11-7-2-8-12-9-3-5-10-6-4-9/h9-10H,2-8H2,1H3
• InChIKey: ITYSLFBEYUSSLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methoxypropoxy)piperidine
• IUPAC Traditional name: 4-(3-methoxypropoxy)piperidine
• Synonyms: 4-(3-methoxypropoxy)piperidine

Database IDs

• MDL Number: MFCD06248099
• PubChem SID: 164334771
• PubChem CID: 20506404

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4386432
• LogD (pH = 7.4): -2.7502372
• Log P: -0.21870814
• Molar Refractivity: 49.0778 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.061

Product Information

• Purity: 95%