2,2-bis(prop-2-en-1-yl)piperidine

• ChemBase ID: 306785
• Molecular Formular: C11H19N
• Molecular Mass: 165.27526
• Monoisotopic Mass: 165.15174961
• SMILES: N1C(CC=C)(CC=C)CCCC1
• Canonical SMILES: C=CCC1(CC=C)CCCCN1
• InChI: InChI=1S/C11H19N/c1-3-7-11(8-4-2)9-5-6-10-12-11/h3-4,12H,1-2,5-10H2
• InChIKey: VPCIEXIKGLCPRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis(prop-2-en-1-yl)piperidine
• IUPAC Traditional name: 2,2-bis(prop-2-en-1-yl)piperidine
• Synonyms: 2,2-diallylpiperidine

Database IDs

• CAS Number: 91355-50-9
• MDL Number: MFCD03002112

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5558335
• LogD (pH = 7.4): -0.26393455
• Log P: 2.6808455
• Molar Refractivity: 54.2306 cm^3
• Polarizability: 21.37188 Å^3
• Polar Surface Area: 12.03 Å^2