4-[2-(prop-2-en-1-yl)phenoxy]piperidine

• ChemBase ID: 20954
• Molecular Formular: C14H19NO
• Molecular Mass: 217.30676
• Monoisotopic Mass: 217.14666423
• SMILES: c1(OC2CCNCC2)c(CC=C)cccc1
• Canonical SMILES: C=CCc1ccccc1OC1CCNCC1
• InChI: InChI=1S/C14H19NO/c1-2-5-12-6-3-4-7-14(12)16-13-8-10-15-11-9-13/h2-4,6-7,13,15H,1,5,8-11H2
• InChIKey: BSFMCOLVTWOQDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(prop-2-en-1-yl)phenoxy]piperidine
• IUPAC Traditional name: 4-[2-(prop-2-en-1-yl)phenoxy]piperidine
• Synonyms: 2-Allylphenyl 4-piperidinyl ether

Database IDs

• MDL Number: MFCD08686775
• PubChem SID: 160984261
• PubChem CID: 26191698

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.64949524
• LogD (pH = 7.4): 0.19482349
• Log P: 2.5579035
• Molar Refractivity: 66.9649 cm^3
• Polarizability: 26.325722 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false