4-(propan-2-ylidene)piperidine

• ChemBase ID: 59186
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C1CNCCC1=C(C)C
• Canonical SMILES: CC(=C1CCNCC1)C
• InChI: InChI=1S/C8H15N/c1-7(2)8-3-5-9-6-4-8/h9H,3-6H2,1-2H3
• InChIKey: SRYVUMHANHOENO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-ylidene)piperidine
• IUPAC Traditional name: 4-(propan-2-ylidene)piperidine
• Synonyms: 4-(1-Methylethylidene)piperidine

Database IDs

• MDL Number: MFCD13176201
• PubChem SID: 162063949
• PubChem CID: 18715670

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9727993
• LogD (pH = 7.4): -1.0560364
• Log P: 1.2268572
• Molar Refractivity: 41.117 cm^3
• Polarizability: 16.06087 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false