(1-phenylpiperidin-4-yl)methanamine

• ChemBase ID: 811797
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: C(N)C1CCN(CC1)c1ccccc1
• Canonical SMILES: NCC1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C12H18N2/c13-10-11-6-8-14(9-7-11)12-4-2-1-3-5-12/h1-5,11H,6-10,13H2
• InChIKey: KOBWFEXXYDXJGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-phenylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-phenylpiperidin-4-yl)methanamine
• Synonyms: (1-PHENYLPIPERIDIN-4-YL)METHANAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5716395
• LogD (pH = 7.4): -0.86396027
• Log P: 1.7530682
• Molar Refractivity: 60.6864 cm^3
• Polarizability: 23.351967 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%