4-(phenylmethylidene)piperidine

• ChemBase ID: 235207
• Molecular Formular: C12H15N
• Molecular Mass: 173.2542
• Monoisotopic Mass: 173.12044949
• SMILES: C(=C1CCNCC1)c1ccccc1
• Canonical SMILES: N1CCC(=Cc2ccccc2)CC1
• InChI: InChI=1S/C12H15N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,10,13H,6-9H2
• InChIKey: QMQNIKYRPSFQKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(phenylmethylidene)piperidine
• IUPAC Traditional name: 4-(phenylmethylidene)piperidine
• Synonyms: 4-(phenylmethylidene)piperidine

Database IDs

• MDL Number: MFCD20664129
• PubChem SID: 164291117
• PubChem CID: 10773559

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9996411
• LogD (pH = 7.4): -0.08274646
• Log P: 2.1999998
• Molar Refractivity: 56.93 cm^3
• Polarizability: 22.089745 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.568

Product Information

• Purity: 95%