N-phenylpiperidin-3-amine

• ChemBase ID: 238713
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1CC(Nc2ccccc2)CCC1
• Canonical SMILES: C1CCC(CN1)Nc1ccccc1
• InChI: InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11/h1-3,5-6,11-13H,4,7-9H2
• InChIKey: JQDNZFYQBNCCRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylpiperidin-3-amine
• IUPAC Traditional name: N-phenylpiperidin-3-amine
• Synonyms: N-phenyl-3-piperidinamine; N-phenylpiperidin-3-amine

Database IDs

• MDL Number: MFCD03426313
• PubChem SID: 164294623
• PubChem CID: 3504419

CALCULATED PROPERTIES

JChem

• Log P: 1.5471851
• Molar Refractivity: 56.1874 cm^3
• Polarizability: 21.506016 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6374418
• LogD (pH = 7.4): -0.6076166

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 2
• Log P: 1.61
• LOG S: -0.85
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.897

Product Information

• Purity: 95%