4-cyclobutylidenepiperidine

• ChemBase ID: 266549
• Molecular Formular: C9H15N
• Molecular Mass: 137.2221
• Monoisotopic Mass: 137.12044949
• SMILES: C1(=C2CCNCC2)CCC1
• Canonical SMILES: N1CCC(=C2CCC2)CC1
• InChI: InChI=1S/C9H15N/c1-2-8(3-1)9-4-6-10-7-5-9/h10H,1-7H2
• InChIKey: GMNQAVMCCFHMMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutylidenepiperidine
• IUPAC Traditional name: 4-cyclobutylidenepiperidine
• Synonyms: 4-cyclobutylidenepiperidine

Database IDs

• MDL Number: MFCD15209697
• PubChem SID: 164322459
• PubChem CID: 47002737

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9919538
• LogD (pH = 7.4): -1.0751685
• Log P: 1.2077
• Molar Refractivity: 43.9158 cm^3
• Polarizability: 17.164604 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.883

Product Information

• Purity: 95%