1-methyl-4-methylidenepiperidine

• ChemBase ID: 271023
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: N1(CCC(=C)CC1)C
• Canonical SMILES: CN1CCC(=C)CC1
• InChI: InChI=1S/C7H13N/c1-7-3-5-8(2)6-4-7/h1,3-6H2,2H3
• InChIKey: XOLRMKKIFJFIOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-methylidenepiperidine
• IUPAC Traditional name: 1-methyl-4-methylidenepiperidine
• Synonyms: 1-methyl-4-methylidenepiperidine

Database IDs

• MDL Number: MFCD09834620
• PubChem SID: 164326933
• PubChem CID: 139537

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.14923
• LogD (pH = 7.4): -0.49927098
• Log P: 0.9799089
• Molar Refractivity: 36.4562 cm^3
• Polarizability: 14.213848 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.416

Product Information

• Purity: 95%