3-phenyl-2-(piperidin-2-yl)propan-1-amine

• ChemBase ID: 274520
• Molecular Formular: C14H22N2
• Molecular Mass: 218.33788
• Monoisotopic Mass: 218.17829871
• SMILES: C(C1NCCCC1)(Cc1ccccc1)CN
• Canonical SMILES: NCC(C1CCCCN1)Cc1ccccc1
• InChI: InChI=1S/C14H22N2/c15-11-13(14-8-4-5-9-16-14)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11,15H2
• InChIKey: CZRLDAXSBGABDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-2-(piperidin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-phenyl-2-(piperidin-2-yl)propan-1-amine
• Synonyms: 3-phenyl-2-(piperidin-2-yl)propan-1-amine

Database IDs

• MDL Number: MFCD18838852
• PubChem SID: 164330430
• PubChem CID: 54593213

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.723562
• LogD (pH = 7.4): -1.7280172
• Log P: 2.037927
• Molar Refractivity: 68.4332 cm^3
• Polarizability: 27.36967 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.409

Product Information

• Purity: 95%