4-(3-aminopropoxy)-1-benzylpiperidine

• ChemBase ID: 286488
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: N1(Cc2ccccc2)CCC(CC1)OCCCN
• Canonical SMILES: NCCCOC1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C15H24N2O/c16-9-4-12-18-15-7-10-17(11-8-15)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,16H2
• InChIKey: UXFPMNSYBVPROG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-aminopropoxy)-1-benzylpiperidine
• IUPAC Traditional name: 4-(3-aminopropoxy)-1-benzylpiperidine
• Synonyms: 4-(3-aminopropoxy)-1-benzylpiperidine

Database IDs

• MDL Number: MFCD14282102
• PubChem SID: 180672019
• PubChem CID: 18425738

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.087226
• LogD (pH = 7.4): -3.034226
• Log P: 1.1388046
• Molar Refractivity: 75.8914 cm^3
• Polarizability: 29.943386 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.501

Product Information

• Purity: 95%