N-phenylpiperidin-4-amine

• ChemBase ID: 34573
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: C1NCCC(C1)Nc1ccccc1
• Canonical SMILES: N1CCC(CC1)Nc1ccccc1
• InChI: InChI=1S/C11H16N2/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-13H,6-9H2
• InChIKey: LKRMTUUCKBQGFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylpiperidin-4-amine
• IUPAC Traditional name: N-phenylpiperidin-4-amine
• Synonyms: N-Phenylpiperidin-4-amine

Database IDs

• CAS Number: 23056-29-3
• MDL Number: MFCD00198126
• PubChem SID: 160997880
• PubChem CID: 89982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.1336637
• LogD (pH = 7.4): -1.4057938
• Log P: 1.0897821
• Molar Refractivity: 56.4082 cm^3
• Polarizability: 21.50607 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false