3-(prop-2-en-1-yloxy)piperidine

• ChemBase ID: 115765
• Molecular Formular: C8H15NO
• Molecular Mass: 141.2108
• Monoisotopic Mass: 141.11536411
• SMILES: N1CC(OCC=C)CCC1
• Canonical SMILES: C=CCOC1CCCNC1
• InChI: InChI=1S/C8H15NO/c1-2-6-10-8-4-3-5-9-7-8/h2,8-9H,1,3-7H2
• InChIKey: POGYCNKVDQXIEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(prop-2-en-1-yloxy)piperidine
• IUPAC Traditional name: 3-(prop-2-en-1-yloxy)piperidine
• Synonyms: 3-(allyloxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD11506389
• PubChem SID: 162101538
• PubChem CID: 45075369

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2334075
• LogD (pH = 7.4): -1.244631
• Log P: 0.9569604
• Molar Refractivity: 42.1108 cm^3
• Polarizability: 16.717077 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.132

Product Information

• Purity: 95+%
• Salt Data: HCl