1-phenylpiperidin-4-amine

• ChemBase ID: 262525
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(CCC(CC1)N)c1ccccc1
• Canonical SMILES: NC1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C11H16N2/c12-10-6-8-13(9-7-10)11-4-2-1-3-5-11/h1-5,10H,6-9,12H2
• InChIKey: QFJSOVLHTDPFAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperidin-4-amine
• IUPAC Traditional name: 1-phenylpiperidin-4-amine
• Synonyms: 1-phenylpiperidin-4-amine

Database IDs

• CAS Number: 1013111-55-1; 63921-23-3
• MDL Number: MFCD00044398
• PubChem SID: 164318435
• PubChem CID: 21193347

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7681518
• LogD (pH = 7.4): -1.1933618
• Log P: 1.2924675
• Molar Refractivity: 55.8684 cm^3
• Polarizability: 21.505304 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.993

Product Information

• Purity: 95%; 98%