[1-(3-phenylpropyl)piperidin-4-yl]methanamine

• ChemBase ID: 34536
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: C1N(CCC(C1)CN)CCCc1ccccc1
• Canonical SMILES: NCC1CCN(CC1)CCCc1ccccc1
• InChI: InChI=1S/C15H24N2/c16-13-15-8-11-17(12-9-15)10-4-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,16H2
• InChIKey: SUZFQTCBSFEJIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-phenylpropyl)piperidin-4-yl]methanamine
• IUPAC Traditional name: [1-(3-phenylpropyl)piperidin-4-yl]methanamine
• Synonyms: [1-(3-Phenylpropyl)piperidin-4-yl]methylamine; 1-[1-(3-phenylpropyl)piperidin-4-yl]methanamine

Database IDs

• CAS Number: 223567-74-6
• MDL Number: MFCD08059669
• PubChem SID: 160997843
• PubChem CID: 24274905

CALCULATED PROPERTIES

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.1495485
• LogD (pH = 7.4): -2.7158742
• Log P: 2.319651
• Molar Refractivity: 74.1565 cm^3
• Polarizability: 29.21693 Å^3
• Polar Surface Area: 29.26 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false