4-(3-phenylpropyl)-1-{2-[4-(3-phenylpropyl)piperidin-1-yl]ethyl}piperidine

• ChemBase ID: 18085
• Molecular Formular: C30H44N2
• Molecular Mass: 432.68376
• Monoisotopic Mass: 432.35044942
• SMILES: C(CN1CCC(CC1)CCCc1ccccc1)N1CCC(CC1)CCCc1ccccc1
• Canonical SMILES: C(Cc1ccccc1)CC1CCN(CC1)CCN1CCC(CC1)CCCc1ccccc1
• InChI: InChI=1S/C30H44N2/c1-3-9-27(10-4-1)13-7-15-29-17-21-31(22-18-29)25-26-32-23-19-30(20-24-32)16-8-14-28-11-5-2-6-12-28/h1-6,9-12,29-30H,7-8,13-26H2
• InChIKey: ZXRJUECFRJEVQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-phenylpropyl)-1-{2-[4-(3-phenylpropyl)piperidin-1-yl]ethyl}piperidine
• IUPAC Traditional name: 4-(3-phenylpropyl)-1-{2-[4-(3-phenylpropyl)piperidin-1-yl]ethyl}piperidine
• Synonyms: 1,1'-Ethylenebis[4-(3-phenylpropyl)piperidine]

Database IDs

• MDL Number: MFCD06637428
• PubChem SID: 160981392
• PubChem CID: 44631052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3917239
• LogD (pH = 7.4): 5.0135407
• Log P: 7.4186044
• Molar Refractivity: 139.1844 cm^3
• Polarizability: 54.65815 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false