1-phenylpiperidin-3-amine

• ChemBase ID: 274868
• Molecular Formular: C11H16N2
• Molecular Mass: 176.25814
• Monoisotopic Mass: 176.13134852
• SMILES: N1(CC(N)CCC1)c1ccccc1
• Canonical SMILES: NC1CCCN(C1)c1ccccc1
• InChI: InChI=1S/C11H16N2/c12-10-5-4-8-13(9-10)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,12H2
• InChIKey: OXQYZZQHIINDCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylpiperidin-3-amine
• IUPAC Traditional name: 1-phenylpiperidin-3-amine
• Synonyms: 1-phenylpiperidin-3-amine

Database IDs

• CAS Number: 63921-21-1
• MDL Number: MFCD11109783
• PubChem SID: 164330778
• PubChem CID: 11159632

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2643862
• LogD (pH = 7.4): -0.61396587
• Log P: 1.7498704
• Molar Refractivity: 55.6476 cm^3
• Polarizability: 21.505238 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.724

Product Information

• Purity: 95%; 98%